Geometry & MOs

Info

ID:	379292
PubChem CID:	134357085
Reduced:	FO3N6C21H23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	422.156575
ΔH_f, kcal/mol:	-76.4
Dipole, Da:	4.21
IP(EA), eV:	-8.46(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1E,3Z)-1,4-diamino-4-[4-(trifluoromethyl)phenyl]buta-1,3-dienyl]-2-(5,6-diformyl-3,4-dihydro-2H-pyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)N(C2=O)C3CC3)N(C1)CC(=O)N/C(=C/C=C(/C4=CC(=CN=C4)F)\N)/N

DOS

IR

Vibrations