Geometry & MOs

Info

ID:	407438
PubChem CID:	135080102
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	441.168856
ΔH_f, kcal/mol:	-123.09
Dipole, Da:	1.61
IP(EA), eV:	-9.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(E)-1-cyano-1,3-bis(2-methylphenoxy)prop-1-en-2-yl]carbamoyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N/C(=C\C1=CCCCC1)/C(=O)OC

DOS

IR

Vibrations