Geometry & MOs

Info

ID:	165604
PubChem CID:	74574374
Reduced:	OSN2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	440.218546
ΔH_f, kcal/mol:	9.65
Dipole, Da:	2.22
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC3C2C(=O)NC(N3)C4=CC=CC(=C4)C

DOS

IR

Vibrations