Geometry & MOs

Info

ID:

179732

PubChem CID:

76522321

Reduced:

NO3C12H18 (1)

Stoich.:

AB3C12D18 (1)

Weight, g/mol:

225.136493

ΔHf, kcal/mol:

-73.83

Dipole, Da:

5.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769982

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[3-(2-methylideneoxetan-3-yl)prop-2-enyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC=CC1COC1=C)C(=O)[O-]

DOS

IR

Vibrations