Geometry & MOs

Info

ID:	165705
PubChem CID:	74585723
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	383.140055
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	4.73
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-ium-1-yl)-2-(5-chloro-1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C=CC(=O)NC2=CC=CC(=C2)C(=O)OC

DOS

IR

Vibrations