Geometry & MOs

Info

ID:	426977
PubChem CID:	135154839
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	463.221954
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	3.5
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN(C2=O)CC3=CC=C(C=C3)OC)N=C1Cl

DOS

IR

Vibrations