Geometry & MOs

Info

ID:	17677
PubChem CID:	511482
Reduced:	ClN3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	325.134575
ΔH_f, kcal/mol:	60.99
Dipole, Da:	4.94
IP(EA), eV:	-8.18(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations