Geometry & MOs

Info

ID:	426803
PubChem CID:	135153987
Reduced:	Cl2O2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	458.206639
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	4.4
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2CCN(CC2)C3=C(C(=NC(=N3)CO)Cl)C)Cl

DOS

IR

Vibrations