Geometry & MOs

Info

ID:	339386
PubChem CID:	127261282
Reduced:	NO2C20H33 (1)
Stoich.:	AB2C20D33 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	2.27
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,4-dimethyl-2-[(E)-2-methylbut-2-enyl]cyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=C(C(=CC=C1)O/N=C/C)O

DOS

IR

Vibrations