Geometry & MOs

Info

ID:	399099
PubChem CID:	135037757
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	3.79
IP(EA), eV:	-9.26(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6R)-3-(4-methoxyphenyl)-1-methyl-2-azabicyclo[3.2.0]hept-2-en-6-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(/C=C/C1=CC=C(C=C1)C)C(=O)C

DOS

IR

Vibrations