Geometry & MOs

Info

ID:	213218
PubChem CID:	81063188
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	422.95038
ΔH_f, kcal/mol:	-222.62
Dipole, Da:	4.39
IP(EA), eV:	-10.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CN1C=CC(=O)N(C1=O)C

DOS

IR

Vibrations