Geometry & MOs

Info

ID:	264833
PubChem CID:	103495373
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	214.123676
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	5.74
IP(EA), eV:	-9.16(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CCC(CC(=O)N1CCC(CC1)C(C)C)N

DOS

IR

Vibrations