Geometry & MOs

Info

ID:	331764
PubChem CID:	127250048
Reduced:	FO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-71.4
Dipole, Da:	3.65
IP(EA), eV:	-9.5(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[6-[(3-methoxyphenyl)methyl]pyridin-2-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations