Geometry & MOs

Info

ID:	320278
PubChem CID:	126659167
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	161.120449
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	1.83
IP(EA), eV:	-8.06(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-ylcyclohexa-2,4-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C=CC(CC2=CC(=C1C)OC)(C)C

DOS

IR

Vibrations