Geometry & MOs

Info

ID:	25706
PubChem CID:	629451
Reduced:	ON2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	380.90343
ΔH_f, kcal/mol:	-11.36
Dipole, Da:	3.03
IP(EA), eV:	-7.97(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dibromo-4-hydroxyphenyl)-2-(2-oxopropylamino)acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC3=C(C=C2)N4CCN(C5C4=C3CCC5)C6CCO6

DOS

IR

Vibrations