Geometry & MOs

Info

ID:	373822
PubChem CID:	131320366
Reduced:	N3C10H19 (1)
Stoich.:	A3B10C19 (1)
Weight, g/mol:	181.157898
ΔH_f, kcal/mol:	11.93
Dipole, Da:	3.22
IP(EA), eV:	-8.53(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-2-piperidin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)C(CN)C#N

DOS

IR

Vibrations