Geometry & MOs

Info

ID:	208303
PubChem CID:	80516692
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	4.57
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-ethylpiperidin-4-yl)-methylamino]pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C(=O)O)N2CCCOCC2)CC

DOS

IR

Vibrations