Geometry & MOs

Info

ID:	213910
PubChem CID:	81065541
Reduced:	BrNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	257.199094
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	2.37
IP(EA), eV:	-9.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-ethylhexanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCOC1=CC(=CC=C1)Br

DOS

IR

Vibrations