Geometry & MOs

Info

ID:

396476

PubChem CID:

135028527

Reduced:

ORhC18H18 (1)

Stoich.:

ABC18D18 (1)

Weight, g/mol:

262.110613

ΔHf, kcal/mol:

130.38

Dipole, Da:

11.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.059464

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-6-phenylmethoxypyrazine

Drug info:

PubChemData

Smile

C1CCC2(C1)C=C([C-]=C2C3=CC=CC=C3)CC[C-]=O.[Rh+2]

DOS

IR

Vibrations