Geometry & MOs

Info

ID:

411499

PubChem CID:

135084330

Reduced:

SN2O4C9H17 (1)

Stoich.:

AB2C4D9E17 (1)

Weight, g/mol:

232.121178

ΔHf, kcal/mol:

-130.61

Dipole, Da:

3.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767348

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-(3-propa-1,2-dienylpyridin-4-yl)carbamate

Drug info:

PubChemData

Smile

CCCCCCS(=O)(=O)/C(=C(\O)/OC)/[N+]#N

DOS

IR

Vibrations