Geometry & MOs

Info

ID:	251775
PubChem CID:	103106833
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	256.142307
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	5.65
IP(EA), eV:	-10.16(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C2CCCCCC2O)C3CC3

DOS

IR

Vibrations