Geometry & MOs

Info

ID:	78714
PubChem CID:	49703891
Reduced:	BrN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	431.080347
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	10.14
IP(EA), eV:	-9.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-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=CC(=CC=C3)Br

DOS

IR

Vibrations