Geometry & MOs

Info

ID:	336052
PubChem CID:	127255059
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	744.2669
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	2.5
IP(EA), eV:	-8.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]benzimidazol-2-one;tetrahydrochloride

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C=N3)OC)OC

DOS

IR

Vibrations