Geometry & MOs

Info

ID:

398120

PubChem CID:

135031856

Reduced:

O2N3C17H18 (1)

Stoich.:

A2B3C17D18 (1)

Weight, g/mol:

264.151415

ΔHf, kcal/mol:

50.62

Dipole, Da:

5.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.933305

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-naphthalen-2-yl-2-prop-2-enylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1C2CC(C1C=C2)C(=O)OCCN3C=C(N=N3)C4=C[CH-]C=C4

DOS

IR

Vibrations