Geometry & MOs

Info

ID:

337165

PubChem CID:

127256730

Reduced:

NO3C9H9 (1)

Stoich.:

AB3C9D9 (1)

Weight, g/mol:

230.13068

ΔHf, kcal/mol:

-32.0

Dipole, Da:

3.01

IP(EA), eV:

-9.84(-1.35)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-methoxy-3-phenylspiro[bicyclo[2.2.1]heptane-2,2'-oxirane]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C(CO)N=O

DOS

IR

Vibrations