Geometry & MOs

Info

ID:	82551
PubChem CID:	49856170
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	324.106117
ΔH_f, kcal/mol:	27.66
Dipole, Da:	2.6
IP(EA), eV:	-9.06(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-amine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)CNC2[C@H]3[C@@H]2CNC3

DOS

IR

Vibrations