Geometry & MOs

Info

ID:	375260
PubChem CID:	131485247
Reduced:	SN2C9H10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	55.01
Dipole, Da:	2.31
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,3-dihydroxyphenyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(C#N)N

DOS

IR

Vibrations