Geometry & MOs

Info

ID:	52312
PubChem CID:	12015139
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-29.25
Dipole, Da:	5.44
IP(EA), eV:	-9.88(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(/C=C/1\C(CCCC1(C)O)(C)C)\C#N

DOS

IR

Vibrations