Geometry & MOs

Info

ID:	242792
PubChem CID:	99206351
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	402.149204
ΔH_f, kcal/mol:	-18.79
Dipole, Da:	2.66
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-oxo-3-[(1-phenylbenzimidazol-2-yl)amino]propyl]benzamide

Drug info:

PubChemData

Smile

COCCN1C=C(C=N1)NC(=O)C2=CC(=NC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations