Geometry & MOs

Info

ID:	426806
PubChem CID:	135153990
Reduced:	ClO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	3.24
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C)N2CCC(CC2)OC3=CN=C(C=C3)OC

DOS

IR

Vibrations