Geometry & MOs

Info

ID:	388044
PubChem CID:	134987946
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	224.97893
ΔH_f, kcal/mol:	26.4
Dipole, Da:	3.49
IP(EA), eV:	-9.95(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-bromo-1-isocyanatoethyl)benzene

Drug info:

PubChemData

Smile

CCCCCCC/C=C/[N+]#[C-]

DOS

IR

Vibrations