Geometry & MOs

Info

ID:	78706
PubChem CID:	49703795
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	7.27
IP(EA), eV:	-8.9(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NC3=NC=CS3

DOS

IR

Vibrations