Geometry & MOs

Info

ID:

396789

PubChem CID:

135029226

Reduced:

H21C23 (1)

Stoich.:

A21B23 (1)

Weight, g/mol:

373.18305

ΔHf, kcal/mol:

98.22

Dipole, Da:

0.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.342010

Charge, e:

 1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C(=[C+]C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations