Geometry & MOs

Info

ID:	277208
PubChem CID:	103827299
Reduced:	ClNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	8.62
Dipole, Da:	3.0
IP(EA), eV:	-9.13(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-[(4-ethylphenyl)methylamino]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC/C=C/Cl

DOS

IR

Vibrations