Geometry & MOs

Info

ID:	252940
PubChem CID:	103115033
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	287.101839
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	6.65
IP(EA), eV:	-10.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-[(2-methyl-3-nitrophenyl)methyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C(=C(N=N1)C(=O)O)CC2=CC=CC=C2Cl)CO

DOS

IR

Vibrations