Geometry & MOs

Info

ID:	80984
PubChem CID:	49854218
Reduced:	N3C20H31 (1)
Stoich.:	A3B20C31 (1)
Weight, g/mol:	387.126903
ΔH_f, kcal/mol:	31.01
Dipole, Da:	3.14
IP(EA), eV:	-8.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCN1CCN(C(C1)C)C2=CC=C(C=C2)C34CC3CN(C4)CC

DOS

IR

Vibrations