Geometry & MOs

Info

ID:	208301
PubChem CID:	80516690
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-81.39
Dipole, Da:	2.15
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[(3-methylphenyl)methyl]amino]pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C(=O)O)N(C)CCC(C)C)CC

DOS

IR

Vibrations