Geometry & MOs

Info

ID:	331766
PubChem CID:	127250050
Reduced:	ClO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	3.03
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations