Geometry & MOs

Info

ID:	141914
PubChem CID:	52951366
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-124.55
Dipole, Da:	1.41
IP(EA), eV:	-9.74(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-methyl-6-[(3S)-3-methylpentyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C=O)NC(=O)CC(C)(C)C

DOS

IR

Vibrations