Geometry & MOs

Info

ID:	296420
PubChem CID:	117573686
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	166.146999
ΔH_f, kcal/mol:	-93.12
Dipole, Da:	3.99
IP(EA), eV:	-8.33(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(cyclopentylamino)methyl]butanenitrile

Drug info:

PubChemData

Smile

CC(C)C(CNC1=CC=CC=C1Cl)C(=O)OC

DOS

IR

Vibrations