Geometry & MOs

Info

ID:	158579
PubChem CID:	56464216
Reduced:	O3N6C22H34 (1)
Stoich.:	A3B6C22D34 (1)
Weight, g/mol:	430.132717
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	4.09
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(CN1C=C(N=N1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)OCC

DOS

IR

Vibrations