Geometry & MOs

Info

ID:	207544
PubChem CID:	80412369
Reduced:	ClN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	70.1
Dipole, Da:	5.69
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2-cyanophenyl)-N-methylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)Cl)N)C2=CC=CC=C2C#N

DOS

IR

Vibrations