Geometry & MOs

Info

ID:	379283
PubChem CID:	134357022
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	422.156575
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	4.47
IP(EA), eV:	-7.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/C=C(\N)/NC(=O)CN2CCCC(=C2C(=O)N(C)C)C=O)/N

DOS

IR

Vibrations