Geometry & MOs

Info

ID:	77935
PubChem CID:	49675007
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	439.200825
ΔH_f, kcal/mol:	-43.36
Dipole, Da:	4.66
IP(EA), eV:	-7.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C(=O)N2C)N(C4=C3C=C(C=C4)OC)C

DOS

IR

Vibrations