Geometry & MOs

Info

ID:	48989
PubChem CID:	11528586
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-80.71
Dipole, Da:	4.22
IP(EA), eV:	-8.81(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-4-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations