Geometry & MOs

Info

ID:	36703
PubChem CID:	8011567
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	369.160103
ΔH_f, kcal/mol:	65.86
Dipole, Da:	4.47
IP(EA), eV:	-8.9(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C=C/C2=CC=CC=C2[N+](=O)[O-])/C#N

DOS

IR

Vibrations