Geometry & MOs

Info

ID:	37700
PubChem CID:	8023394
Reduced:	OSN3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	40.64
Dipole, Da:	5.92
IP(EA), eV:	-7.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations