Geometry & MOs

Info

ID:	372256
PubChem CID:	131294715
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	265.9754
ΔH_f, kcal/mol:	55.39
Dipole, Da:	3.57
IP(EA), eV:	-8.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(difluoromethoxy)-1-methoxy-4-methylbenzene

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2Cl)CC(C#N)N

DOS

IR

Vibrations