Geometry & MOs

Info

ID:

407176

PubChem CID:

135079501

Reduced:

NO4C12H16 (1)

Stoich.:

AB4C12D16 (1)

Weight, g/mol:

389.292994

ΔHf, kcal/mol:

-133.23

Dipole, Da:

2.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.106288

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[methyl(phenyl)carbamoyl]dodecanoate

Drug info:

PubChemData

Smile

CCOC(=O)C=[NH+]C1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations