Geometry & MOs

Info

ID:	165706
PubChem CID:	74585724
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	489.181919
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	8.91
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])CC4=CC=CC=C4

DOS

IR

Vibrations