Geometry & MOs

Info

ID:	171345
PubChem CID:	75364552
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	-122.15
Dipole, Da:	5.13
IP(EA), eV:	-9.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-1-oxidopyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)OC)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F

DOS

IR

Vibrations