Geometry & MOs

Info

ID:	438590
PubChem CID:	135228334
Reduced:	SN3O5C28H39 (1)
Stoich.:	AB3C5D28E39 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-209.3
Dipole, Da:	2.98
IP(EA), eV:	-8.56(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-5-methoxy-2-methyl-1-bicyclo[2.2.0]hexanyl]-3-methylphenol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](C[C@H]2NS(=O)C(C)(C)C)OC(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations