Geometry & MOs

Info

ID:	375264
PubChem CID:	131485253
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	-8.63
Dipole, Da:	2.51
IP(EA), eV:	-9.43(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4,5-dihydroxyphenyl)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=O)C#N)OC)C)Br

DOS

IR

Vibrations