Geometry & MOs

Info

ID:	37265
PubChem CID:	8019014
Reduced:	N2O5C16H22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-204.39
Dipole, Da:	5.04
IP(EA), eV:	-9.09(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-benzoyl-3-(2,4,5-trimethoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)COC

DOS

IR

Vibrations