Geometry & MOs

Info

ID:	371152
PubChem CID:	127342657
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-154.17
Dipole, Da:	3.68
IP(EA), eV:	-8.86(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-azabicyclo[3.2.0]heptan-6-yl-(2-hydroxy-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCOCC2)NC(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations