Geometry & MOs

Info

ID:	386124
PubChem CID:	134980843
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	4.05
IP(EA), eV:	-9.22(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-acetamido-2-propanoyloct-4-enoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](CC1=CC=CC=C1)N2CC=C[C@@H]3[C@@H]2[C@@H]([C@@H](O3)C=C)C(=O)OC

DOS

IR

Vibrations