Geometry & MOs

Info

ID:	315943
PubChem CID:	126629472
Reduced:	ON4C25H26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	343.163102
ΔH_f, kcal/mol:	97.56
Dipole, Da:	4.2
IP(EA), eV:	-9.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[4-(2-methylprop-2-enoyloxy)butylcarbamoyl]propanedioate

Drug info:

PubChemData

Smile

CC1=N[C@@]2(C3=C(CC24CCC(CC4)OC)C=CC(=C3)C5=CN=CC(=C5)C#C)N=C1N

DOS

IR

Vibrations