Geometry & MOs

Info

ID:	52298
PubChem CID:	12015123
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-23.24
Dipole, Da:	4.04
IP(EA), eV:	-10.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(=CC(C1)(C)O)C(=C)C#N)C

DOS

IR

Vibrations