Geometry & MOs

Info

ID:	78708
PubChem CID:	49703881
Reduced:	BrN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	9.72
IP(EA), eV:	-8.78(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NC3=C(C=C(C=C3)Br)C

DOS

IR

Vibrations