Geometry & MOs

Info

ID:	197712
PubChem CID:	78988592
Reduced:	BrO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	294.99564
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	4.9
IP(EA), eV:	-9.44(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-N-(1H-pyrazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CNC(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations