Geometry & MOs

Info

ID:	379388
PubChem CID:	134419262
Reduced:	F2N2C11H22 (1)
Stoich.:	A2B2C11D22 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-129.95
Dipole, Da:	2.89
IP(EA), eV:	-8.47(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCN(CC1)CC(F)F

DOS

IR

Vibrations