Geometry & MOs

Info

ID:	81354
PubChem CID:	49854634
Reduced:	OF3N3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	347.236148
ΔH_f, kcal/mol:	-135.97
Dipole, Da:	2.16
IP(EA), eV:	-8.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations