Geometry & MOs

Info

ID:	371900
PubChem CID:	131278042
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	249.93962
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	3.87
IP(EA), eV:	-8.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(chloromethyl)-3-methoxyphenol

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=C(C=C2C=CNC2=C1)O)N

DOS

IR

Vibrations