Geometry & MOs

Info

ID:

159883

PubChem CID:

57288852

Reduced:

NSiO2C18H24 (1)

Stoich.:

ABC2D18E24 (1)

Weight, g/mol:

181.110279

ΔHf, kcal/mol:

-39.12

Dipole, Da:

6.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751291

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-1-(2-ethylpyran-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCCC[Si]1CCC(CC1)C(=O)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations