Geometry & MOs

Info

ID:	431219
PubChem CID:	135171289
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	477.237604
ΔH_f, kcal/mol:	31.37
Dipole, Da:	4.3
IP(EA), eV:	-9.19(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NC=CS2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations