Geometry & MOs

Info

ID:

435884

PubChem CID:

135192678

Reduced:

NO3H14C15 (1)

Stoich.:

AB3C14D15 (1)

Weight, g/mol:

155.131014

ΔHf, kcal/mol:

-54.19

Dipole, Da:

6.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.829873

Charge, e:

 0

Chem-info

IUPAC name:

5-(ethenylamino)-3,3-dimethylpentan-2-one

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C(=O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations