Geometry & MOs

Info

ID:	13824
PubChem CID:	398959
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-21.49
Dipole, Da:	4.67
IP(EA), eV:	-8.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,7-dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methanol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C5C(=C4OC)NC(=N5)CO)OC

DOS

IR

Vibrations