Geometry & MOs

Info

ID:	69868
PubChem CID:	47205629
Reduced:	BrON5H10C13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	74.15
Dipole, Da:	1.65
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-nitro-N-(1H-pyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NNC(=C2)C(=O)NC3=CNN=C3)Br

DOS

IR

Vibrations