Geometry & MOs

Info

ID:	40408
PubChem CID:	8144066
Reduced:	O2N4C20H29 (1)
Stoich.:	A2B4C20D29 (1)
Weight, g/mol:	398.210661
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	3.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756907
Charge, e:	0

Chem-info

IUPAC name:

2-(phenoxymethyl)-1-[(4-phenylpiperazin-1-yl)methyl]benzimidazole

Drug info:

PubChemData

Smile

C1CCCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations