Geometry & MOs

Info

ID:	277693
PubChem CID:	103830425
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	321.00006
ΔH_f, kcal/mol:	-112.58
Dipole, Da:	3.57
IP(EA), eV:	-9.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1=CC(=C(C=C1)Br)O

DOS

IR

Vibrations