Geometry & MOs

Info

ID:	374598
PubChem CID:	131331919
Reduced:	BrSO2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	193.090292
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	2.4
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-2-hydroxy-5-methylphenyl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=C(C=C1)SC=C2)Br

DOS

IR

Vibrations