Geometry & MOs

Info

ID:	371837
PubChem CID:	131274359
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	313.85317
ΔH_f, kcal/mol:	7.32
Dipole, Da:	3.88
IP(EA), eV:	-9.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(bromomethyl)-3-chloro-5-methoxybenzene

Drug info:

PubChemData

Smile

CCC1=C(C(=CO1)C2=CC=NC=C2)CN

DOS

IR

Vibrations