Geometry & MOs

Info

ID:

379287

PubChem CID:

134357067

Reduced:

FO3N5C21H22 (1)

Stoich.:

AB3C5D21E22 (1)

Weight, g/mol:

465.198774

ΔHf, kcal/mol:

-83.84

Dipole, Da:

1.71

IP(EA), eV:

 -9.38(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[(1E,3Z)-1,4-diamino-4-[3-(trifluoromethyl)phenyl]buta-1,3-dienyl]amino]-2-oxoethyl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(CCCN1CC(=O)NC2=NC=C(C=C2)C3=CC(=CN=C3)F)C=O

DOS

IR

Vibrations