Geometry & MOs

Info

ID:	410578
PubChem CID:	135083378
Reduced:	NO2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	1.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.898721
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R,5R)-2,5-dimethylcyclohex-3-en-1-yl]-2-hydroxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)C([CH]C=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations