Geometry & MOs

Info

ID:	84538
PubChem CID:	49867402
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	246.121572
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	8.94
IP(EA), eV:	-8.92(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(3-carboxypropanoylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC(C)C/C(=C/1\N=C(C(=O)N1CC(=O)O)C=C2C=CC(=O)C=C2)/N

DOS

IR

Vibrations