Geometry & MOs

Info

ID:	252370
PubChem CID:	103110864
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	2.87
IP(EA), eV:	-9.58(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3-amino-2-methylphenyl)methylamino]pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations