Geometry & MOs

Info

ID:	431331
PubChem CID:	135171406
Reduced:	O3N5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	477.237604
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	3.2
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-methoxyphenyl)ethyl]-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)N[C@@H]4CCCC5=CC=CC=C45

DOS

IR

Vibrations