Geometry & MOs

Info

ID:	223347
PubChem CID:	85334896
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	181.94979
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	2.08
IP(EA), eV:	-10.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-chloro-2-methylbut-2-ene

Drug info:

PubChemData

Smile

C#CCCCOC(=O)C=CC(=O)N

DOS

IR

Vibrations