Geometry & MOs

Info

ID:	315081
PubChem CID:	126624380
Reduced:	NC12H23 (1)
Stoich.:	AB12C23 (1)
Weight, g/mol:	482.13179
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	0.98
IP(EA), eV:	-8.28(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[2,6-dihydroxy-4-(8-iodo-2-methyloctan-2-yl)phenyl]-1-methyltricyclo[3.2.0.02,7]heptan-4-one

Drug info:

PubChemData

Smile

CC(C)C1C=CCCN1C(C)(C)C

DOS

IR

Vibrations