Geometry & MOs

Info

ID:	339408
PubChem CID:	127261304
Reduced:	NO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	5.21
IP(EA), eV:	-8.43(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,6-dimethyl-5-[(E)-2-methylbut-2-enyl]cyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C=N/OC1=CC(=C(C(=C1)OC)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations