Geometry & MOs

Info

ID:	213884
PubChem CID:	81065515
Reduced:	BrFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-167.87
Dipole, Da:	1.73
IP(EA), eV:	-10.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations