Geometry & MOs

Info

ID:	337859
PubChem CID:	127258482
Reduced:	NCl2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	290.111401
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	4.48
IP(EA), eV:	-9.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethoxy)-(1-carboxypropan-2-yl)carbamoyl]butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCCOC1=C(N=C(C=C1)Cl)Cl

DOS

IR

Vibrations