Geometry & MOs

Info

ID:	138135
PubChem CID:	52317039
Reduced:	S2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	429.215132
ΔH_f, kcal/mol:	74.14
Dipole, Da:	4.71
IP(EA), eV:	-8.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[4-[6-[(6-methylpyridin-1-ium-2-yl)amino]pyridazin-3-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)[C@@H](C)N(C)C2=NC=NC3=C2SC=C3

DOS

IR

Vibrations