Geometry & MOs

Info

ID:	373637
PubChem CID:	131318111
Reduced:	BrOSH11C12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	283.0008
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	3.42
IP(EA), eV:	-8.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromo-2-fluoro-3-hydroxy-5-methylphenyl)cyclopropyl]acetonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1SC(=C2)CBr)C=O

DOS

IR

Vibrations