Geometry & MOs

Info

ID:	177664
PubChem CID:	76209799
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	258.121572
ΔH_f, kcal/mol:	12.78
Dipole, Da:	1.33
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxyethylcarbamoylamino)-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OC2=C(C=CC(=C2)Cl)C(=NO)N

DOS

IR

Vibrations