Geometry & MOs

Info

ID:	182238
PubChem CID:	76862629
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	399.147058
ΔH_f, kcal/mol:	-67.02
Dipole, Da:	4.35
IP(EA), eV:	-8.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxybenzoyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)C=C(C#N)C(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations