Geometry & MOs

Info

ID:	164704
PubChem CID:	74441384
Reduced:	FN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	397.202836
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.134068
Charge, e:	1

Chem-info

IUPAC name:

4-(benzimidazol-1-yl)-N-(1-benzylpyrrolidin-1-ium-3-yl)benzamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4C=CC=CC4=NC3=O

DOS

IR

Vibrations