Geometry & MOs

Info

ID:	159407
PubChem CID:	57280017
Reduced:	BrNO2C21H24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	344.125988
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	3.95
IP(EA), eV:	-8.18(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2,4-bis(4-hydroxyphenyl)pentanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)C(C(C)C)O

DOS

IR

Vibrations