Geometry & MOs

Info

ID:	373317
PubChem CID:	131313177
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	233.94471
ΔH_f, kcal/mol:	-28.27
Dipole, Da:	7.38
IP(EA), eV:	-9.82(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-chloro-3-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C#N)C=O)O

DOS

IR

Vibrations