Geometry & MOs

Info

ID:	146385
PubChem CID:	53679634
Reduced:	ClC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	224.97893
ΔH_f, kcal/mol:	-16.15
Dipole, Da:	2.47
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethyl)-4-isocyanatobenzene

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations