Geometry & MOs

Info

ID:	332074
PubChem CID:	127250360
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	2.42
IP(EA), eV:	-9.34(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations