Geometry & MOs

Info

ID:	80985
PubChem CID:	49854219
Reduced:	Cl2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	341.246713
ΔH_f, kcal/mol:	61.1
Dipole, Da:	2.59
IP(EA), eV:	-8.42(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)C34CC3CNC4)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations