Geometry & MOs

Info

ID:	138906
PubChem CID:	52441473
Reduced:	ClNO4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-63.43
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-ethoxy-2-propoxyphenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)C2=CC(=CC=C2)OC)Cl)OC

DOS

IR

Vibrations