Geometry & MOs

Info

ID:	372268
PubChem CID:	131295204
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	181.157898
ΔH_f, kcal/mol:	-116.63
Dipole, Da:	1.61
IP(EA), eV:	-9.5(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-2-ethyl-1-methylpiperidin-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CCC1CCCC(C1)(C(=O)C)OC

DOS

IR

Vibrations