Geometry & MOs

Info

ID:	375282
PubChem CID:	131485283
Reduced:	BrO2N4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	349.91822
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	4.11
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-2-iodo-3-methyl-5-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC2=C1C(=NC(=N2)N)Br

DOS

IR

Vibrations