Geometry & MOs

Info

ID:	193454
PubChem CID:	78397192
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	65.66
Dipole, Da:	9.46
IP(EA), eV:	-8.24(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C2=NC(=C3C=CC=CC3=O)N=C4C2C=CC=C4

DOS

IR

Vibrations