Geometry & MOs

Info

ID:	283011
PubChem CID:	103953030
Reduced:	BrNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	339.01062
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	4.9
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-5-methoxyanilino)methyl]benzene-1,2,3-triol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2=C(C(=C(C=C2)O)O)O)Br

DOS

IR

Vibrations