Geometry & MOs

Info

ID:	269095
PubChem CID:	103613137
Reduced:	INO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	3.52
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)O)C(=O)C2=C(C=CC(=C2)I)O

DOS

IR

Vibrations