Geometry & MOs

Info

ID:

225867

PubChem CID:

87235832

Reduced:

N4O8C25H36 (1)

Stoich.:

A4B8C25D36 (1)

Weight, g/mol:

1417.447701

ΔHf, kcal/mol:

-287.71

Dipole, Da:

5.49

IP(EA), eV:

 -8.66(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(1-carbamoyl-5-methylpyrazol-3-yl)-N-pyrimidin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;N-pyrazin-2-yl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide;4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2CCN3CCN(CC3)C(=O)CCCCCCC(=O)NO.C(=O)(C(=O)O)O

DOS

IR

Vibrations