Geometry & MOs

Info

ID:	199962
PubChem CID:	79323935
Reduced:	ClN2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	425.86525
ΔH_f, kcal/mol:	19.14
Dipole, Da:	5.51
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dibromo-5-[2-(bromomethyl)but-1-enyl]-2-ethoxybenzene

Drug info:

PubChemData

Smile

CCCN1C=NC=C1C=CCCl

DOS

IR

Vibrations