Geometry & MOs

Info

ID:	251347
PubChem CID:	103103343
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	243.121906
ΔH_f, kcal/mol:	-167.64
Dipole, Da:	9.54
IP(EA), eV:	-8.76(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]pent-4-enoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=CC=C(C=C1)CCC(=O)O

DOS

IR

Vibrations