Geometry & MOs

Info

ID:	6864
PubChem CID:	70302
Reduced:	N2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	152.131349
ΔH_f, kcal/mol:	10.55
Dipole, Da:	4.49
IP(EA), eV:	-8.89(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)CCC#N

DOS

IR

Vibrations