Geometry & MOs

Info

ID:	335784
PubChem CID:	127254646
Reduced:	SO4N5H17C21 (1)
Stoich.:	AB4C5D17E21 (1)
Weight, g/mol:	718.226098
ΔH_f, kcal/mol:	-49.34
Dipole, Da:	5.61
IP(EA), eV:	-9.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzimidazol-2-one;tetrahydrochloride

Drug info:

PubChemData

Smile

COCC1=NN=C(S1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations