Geometry & MOs

Info

ID:	292319
PubChem CID:	114916640
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	3.75
IP(EA), eV:	-9.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetamidopropanoylamino)-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations