Geometry & MOs

Info

ID:

381535

PubChem CID:

134972303

Reduced:

N2H7C8 (1)

Stoich.:

A2B7C8 (1)

Weight, g/mol:

332.04119

ΔHf, kcal/mol:

99.42

Dipole, Da:

1.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.854424

Charge, e:

 0

Chem-info

IUPAC name:

5-bromo-2,2-dimethyl-6-phenoxy-3,4-dihydrochromene

Drug info:

PubChemData

Smile

C1=C[C-](C=C1)N2C=CC=N2

DOS

IR

Vibrations