Geometry & MOs

Info

ID:	290092
PubChem CID:	104408003
Reduced:	ClN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	301.127385
ΔH_f, kcal/mol:	-120.92
Dipole, Da:	5.2
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-morpholin-4-yl-1-oxopropan-2-yl)carbamoylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC2=C(C=C(C=N2)C(=O)O)Cl

DOS

IR

Vibrations