Geometry & MOs

Info

ID:	251359
PubChem CID:	103103401
Reduced:	N3O5C12H21 (1)
Stoich.:	A3B5C12D21 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-233.98
Dipole, Da:	3.64
IP(EA), eV:	-9.8(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NCC1(CCOCC1)C(=O)O

DOS

IR

Vibrations