Geometry & MOs

Info

ID:	163014
PubChem CID:	57581370
Reduced:	N3O3H23C30 (1)
Stoich.:	A3B3C23D30 (1)
Weight, g/mol:	538.210387
ΔH_f, kcal/mol:	8.67
Dipole, Da:	3.69
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-(3,4-diethoxyphenyl)-4-oxobutanoyl]amino]-6-phenylpyridin-4-yl]benzoic acid

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)C#N

DOS

IR

Vibrations