Geometry & MOs

Info

ID:	126591
PubChem CID:	50969031
Reduced:	N2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	94.44
Dipole, Da:	2.12
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[(2-ethoxyphenyl)methyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=NC=C2)N)C3=CC=NN3

DOS

IR

Vibrations