Geometry & MOs

Info

ID:	227796
PubChem CID:	87562509
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	402.99792
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	1.57
IP(EA), eV:	-8.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,5-difluorophenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N/N=C(/C)\C(=O)OC)Br

DOS

IR

Vibrations