Geometry & MOs

Info

ID:	372379
PubChem CID:	131296684
Reduced:	BrNH10C12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	197.058912
ΔH_f, kcal/mol:	58.68
Dipole, Da:	4.69
IP(EA), eV:	-9.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-imidazol-2-yl)benzoyl cyanide

Drug info:

PubChemData

Smile

CC1=C(CCC2=C1C(=CC=C2)Br)C#N

DOS

IR

Vibrations