Geometry & MOs

Info

ID:	41227
PubChem CID:	8145496
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	417.209065
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	7.3
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N3CCC[C@H]3C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations