Geometry & MOs

Info

ID:	78711
PubChem CID:	49703887
Reduced:	BrFN3O3H19C21 (1)
Stoich.:	ABC3D3E19F21 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	4.94
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-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=C(C=C(C=C3)Br)F

DOS

IR

Vibrations