Geometry & MOs

Info

ID:	45576
PubChem CID:	10515148
Reduced:	ClO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	253.96665
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	4.62
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(trifluoromethyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2C(=C(C2=O)O)Cl

DOS

IR

Vibrations