Geometry & MOs

Info

ID:	349084
PubChem CID:	127274810
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-87.55
Dipole, Da:	1.65
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3,5-trimethylcyclohexyl)acetyl]piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)C(C(C)C)NC(=O)C3=CC=CC=N3)C

DOS

IR

Vibrations