Geometry & MOs

Info

ID:	188225
PubChem CID:	77685366
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-62.74
Dipole, Da:	2.92
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-2-(hydroxymethyl)-6-phenylbicyclo[2.2.0]hexane-1,2,4,5-tetrol

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CC(=O)NCC3(CNCCO3)CC4=CC=CC=C4

DOS

IR

Vibrations