Geometry & MOs

Info

ID:	143172
PubChem CID:	53157748
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	8.85
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-6-propoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC(=O)C(=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)CC(C)C

DOS

IR

Vibrations