Geometry & MOs

Info

ID:	52311
PubChem CID:	12015138
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	6.01
IP(EA), eV:	-9.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[(E)-(2-hydroxy-2,6,6-trimethylcyclohexylidene)methyl]but-2-enenitrile

Drug info:

PubChemData

Smile

C/C=C/1\C=C2C(CCCC2(OC1=O)C)(C)C

DOS

IR

Vibrations