Geometry & MOs

Info

ID:	389873
PubChem CID:	134995691
Reduced:	NO7C10H17 (1)
Stoich.:	AB7C10D17 (1)
Weight, g/mol:	247.96036
ΔH_f, kcal/mol:	-244.64
Dipole, Da:	3.53
IP(EA), eV:	-10.18(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(chloromethyl)-3-methoxy-5-methylbenzene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](ON(C1(C(=O)OC)C(=O)OC)OC)CO

DOS

IR

Vibrations