Geometry & MOs

Info

ID:	41228
PubChem CID:	8145497
Reduced:	FON4C25H26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	416.20124
ΔH_f, kcal/mol:	45.26
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794356
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations