Geometry & MOs

Info

ID:	263961
PubChem CID:	103410450
Reduced:	BrNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	403.93065
ΔH_f, kcal/mol:	-98.06
Dipole, Da:	3.18
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopyrazol-1-yl)-N-(2,4-dibromo-5-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COCCOCCCOC1=CN=C(C=C1)CBr

DOS

IR

Vibrations