Geometry & MOs

Info

ID:	385806
PubChem CID:	134980027
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-182.65
Dipole, Da:	0.44
IP(EA), eV:	-9.95(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-methyl-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]1CC=C[C@@H]([C@@H]1C(=O)OC)OC(=O)C

DOS

IR

Vibrations