Geometry & MOs

Info

ID:	78658
PubChem CID:	49703504
Reduced:	ClN3O4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	8.81
IP(EA), eV:	-8.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(4-ethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations