Geometry & MOs

Info

ID:	261131
PubChem CID:	103219094
Reduced:	BrClINO3H8C14 (1)
Stoich.:	ABCDE3F8G14 (1)
Weight, g/mol:	278.09906
ΔH_f, kcal/mol:	-62.36
Dipole, Da:	5.55
IP(EA), eV:	-9.93(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)NC(=O)C2=CC(=C(C=C2)I)Cl)C(=O)O

DOS

IR

Vibrations