Geometry & MOs

Info

ID:

404672

PubChem CID:

135069013

Reduced:

BP2O5C14H24 (1)

Stoich.:

AB2C5D14E24 (1)

Weight, g/mol:

260.120115

ΔHf, kcal/mol:

-244.48

Dipole, Da:

4.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769201

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2,3-dihydrocyclopenta[a]indene

Drug info:

PubChemData

Smile

[B][P+](C(CC1=CC=CC=C1)P(=O)(OC)OC)(OCC)OCC

DOS

IR

Vibrations