Geometry & MOs

Info

ID:	426845
PubChem CID:	135154139
Reduced:	ClNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	468.167666
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	2.81
IP(EA), eV:	-9.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloropyridin-4-yl)methyl]-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1Cl)CC=O)C(=O)OC

DOS

IR

Vibrations