Geometry & MOs

Info

ID:	251345
PubChem CID:	103103334
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	287.184506
ΔH_f, kcal/mol:	-160.31
Dipole, Da:	4.04
IP(EA), eV:	-9.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-4-ethylhexanoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NCCC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations