Geometry & MOs

Info

ID:	52308
PubChem CID:	12015135
Reduced:	ON2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-58.67
Dipole, Da:	2.13
IP(EA), eV:	-8.8(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-3,5,5-trimethylcyclohexen-1-yl)propanenitrile

Drug info:

PubChemData

Smile

CCN(CC)C(C)C(C#N)C1=CC(CC(C1)(C)C)(C)O

DOS

IR

Vibrations