Geometry & MOs

Info

ID:	252943
PubChem CID:	103115058
Reduced:	N4O4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	5.34
IP(EA), eV:	-9.62(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-3-nitrophenyl)methylamino]pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=NC=C(N=C2)C(=O)O

DOS

IR

Vibrations