Geometry & MOs

Info

ID:

392020

PubChem CID:

135012014

Reduced:

NOH16C20 (1)

Stoich.:

ABC16D20 (1)

Weight, g/mol:

287.131014

ΔHf, kcal/mol:

86.2

Dipole, Da:

1.55

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.972077

Charge, e:

0

Chem-info

IUPAC name:

2-cyclopenta-2,4-dien-1-ylidene-4,5-diphenyl-1,3-oxazolidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(OC(=C3C=CC=C3)[N-]2)C4=CC=CC=C4

DOS

IR

Vibrations