Geometry & MOs

Info

ID:	222638
PubChem CID:	85305666
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	385.171165
ΔH_f, kcal/mol:	-136.18
Dipole, Da:	3.42
IP(EA), eV:	-8.07(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylphenyl)-8-(4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-2-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1C3CCC4=CC(=C(C=C4C3=NOC)OC)OC)OCO2

DOS

IR

Vibrations