Geometry & MOs

Info

ID:	22367
PubChem CID:	597013
Reduced:	N2O3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	282.100442
ΔH_f, kcal/mol:	-36.84
Dipole, Da:	3.89
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanophenyl)-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C#N)OC

DOS

IR

Vibrations