Geometry & MOs

Info

ID:	393291
PubChem CID:	135019996
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	-120.07
Dipole, Da:	1.96
IP(EA), eV:	-10.4(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,5S)-2-benzyl-3-ethyl-2-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C=CCC(=O)O[C@H](C=C)[C@@H](C=C)OC(=O)CC=C

DOS

IR

Vibrations