Geometry & MOs

Info

ID:

340173

PubChem CID:

127262182

Reduced:

NO2C12H15 (1)

Stoich.:

AB2C12D15 (1)

Weight, g/mol:

199.157229

ΔHf, kcal/mol:

-58.87

Dipole, Da:

2.17

IP(EA), eV:

-9.01(0.31)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[(E)-pent-3-enyl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/N(C)C(=O)OC

DOS

IR

Vibrations