Geometry & MOs

Info

ID:	393168
PubChem CID:	135019616
Reduced:	NCl2O5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-149.7
Dipole, Da:	5.38
IP(EA), eV:	-9.43(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2C=CC3=CC=CC=C3C2=C1C(=O)C(Cl)Cl)C(=O)OC

DOS

IR

Vibrations