Geometry & MOs

Info

ID:	331765
PubChem CID:	127250049
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	438.145868
ΔH_f, kcal/mol:	-66.1
Dipole, Da:	4.47
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations