Geometry & MOs

Info

ID:

177185

PubChem CID:

76143781

Reduced:

O5C28H32 (1)

Stoich.:

A5B28C32 (1)

Weight, g/mol:

575.319558

ΔHf, kcal/mol:

-190.31

Dipole, Da:

5.57

IP(EA), eV:

 -9.77(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,2-dimethyl-N-(1-methylpiperidin-4-yl)-5-[[4-[[2-(propan-2-ylcarbamoyl)cyclopentyl]amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC1CC2(C(CCC2=O)C(CCC1OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations