Geometry & MOs

Info

ID:	375262
PubChem CID:	131485250
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	2.62
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,3-dihydroxyphenyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(CC1=C2C(=CC(=C1)Br)OCO2)C#N

DOS

IR

Vibrations