Geometry & MOs

Info

ID:	295177
PubChem CID:	117520495
Reduced:	BrO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	370.99393
ΔH_f, kcal/mol:	-178.42
Dipole, Da:	4.27
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-bromo-4-(1,1-dioxothietan-3-yl)oxyphenyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC(=C(C=C1Br)OC2CCCC2)OC

DOS

IR

Vibrations