Geometry & MOs

Info

ID:	21022
PubChem CID:	586791
Reduced:	N2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	18.88
Dipole, Da:	5.18
IP(EA), eV:	-8.31(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrrolidin-1-ylmethylidene)hexanenitrile

Drug info:

PubChemData

Smile

CCCC(=CN1CCCC1)CC#N

DOS

IR

Vibrations