Geometry & MOs

Info

ID:	339415
PubChem CID:	127261311
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	5.22
Dipole, Da:	3.05
IP(EA), eV:	-8.28(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4,6-dimethyl-2-[(E)-2-methylbut-2-enyl]cyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)N(C)C)C2=CC=CC=C2

DOS

IR

Vibrations