Geometry & MOs

Info

ID:	52297
PubChem CID:	12015122
Reduced:	NOC8H11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	11.14
Dipole, Da:	2.31
IP(EA), eV:	-10.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-3,5,5-trimethylcyclohexen-1-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC/C(=C/C#N)/[C@@H]1[C@H](O1)C

DOS

IR

Vibrations