Geometry & MOs

Info

ID:	50904
PubChem CID:	12013495
Reduced:	BrNC6H6 (1)
Stoich.:	ABC6D6 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	49.76
Dipole, Da:	2.92
IP(EA), eV:	-10.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethylidene)cyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

C1C(CC1=CBr)C#N

DOS

IR

Vibrations