Geometry & MOs

Info

ID:	78653
PubChem CID:	49703427
Reduced:	N2O2H11C12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	3.18
IP(EA), eV:	-8.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-yl)-2-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CNC2=CC=CC=C21)N3C(=O)C=CC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations