Geometry & MOs

Info

ID:	45700
PubChem CID:	10516639
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	277.085127
ΔH_f, kcal/mol:	-83.82
Dipole, Da:	5.73
IP(EA), eV:	-10.31(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3H-benzimidazol-5-yl)-2-hydroxyquinolin-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CCC2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations