Geometry & MOs

Info

ID:	224566
PubChem CID:	85344858
Reduced:	BrSN2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	232.071114
ΔH_f, kcal/mol:	44.01
Dipole, Da:	2.17
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroperoxy-2-methylprop-2-enyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C=CBr)N

DOS

IR

Vibrations