Geometry & MOs

Info

ID:	162999
PubChem CID:	57581324
Reduced:	N3O6C34H37 (1)
Stoich.:	A3B6C34D37 (1)
Weight, g/mol:	528.298808
ΔH_f, kcal/mol:	-172.92
Dipole, Da:	2.95
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-diethoxyphenyl)-N-[4-[(E)-oct-1-enyl]-6-phenylpyridin-2-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=CN4C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations