Geometry & MOs

Info

ID:	162993
PubChem CID:	57581250
Reduced:	N3O3H25C31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	510.215472
ΔH_f, kcal/mol:	1.75
Dipole, Da:	1.93
IP(EA), eV:	-9.16(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-diethoxyphenyl)-4-oxo-N-[(4E)-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-6-phenyl-1H-pyridin-2-yl]butanamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(=O)CCC(=O)NC3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC(=C5)CC#N

DOS

IR

Vibrations