Geometry & MOs

Info

ID:	426848
PubChem CID:	135154156
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	458.206639
ΔH_f, kcal/mol:	-85.61
Dipole, Da:	2.74
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations