Geometry & MOs

Info

ID:	52313
PubChem CID:	12015140
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	4.34
IP(EA), eV:	-10.01(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(2-hydroxy-2,6,6-trimethylcyclohexylidene)propanenitrile

Drug info:

PubChemData

Smile

CC\1(CCCC(/C1=C/CC#N)(C)O)C

DOS

IR

Vibrations