Geometry & MOs

Info

ID:	145411
PubChem CID:	53519410
Reduced:	NSO4H9C14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	2.52
IP(EA), eV:	-9.47(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide

Drug info:

PubChemData

Smile

C1/C(=C\C2=CSC(=C2)[N+](=O)[O-])/C(=O)C3=C1C(=CC=C3)O

DOS

IR

Vibrations