Geometry & MOs

Info

ID:	50903
PubChem CID:	12013494
Reduced:	BrNC6H6 (1)
Stoich.:	ABC6D6 (1)
Weight, g/mol:	170.96836
ΔH_f, kcal/mol:	87.86
Dipole, Da:	2.4
IP(EA), eV:	-10.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethylidene)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

C1C2(C1(C2)C#N)CBr

DOS

IR

Vibrations