Geometry & MOs

Info

ID:

409019

PubChem CID:

135081793

Reduced:

AsC2H2P2 (1)

Stoich.:

AB2C2D2 (1)

Weight, g/mol:

517.165601

ΔHf, kcal/mol:

91.58

Dipole, Da:

1.9

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.032671

Charge, e:

0

Chem-info

IUPAC name:

[5-[(2,6-diphenylpyran-4-ylidene)methyl]-7,8-dihydro-6H-naphthalen-2-ylidene]-dimethylazanium;perchlorate

Drug info:

PubChemData

Smile

C1=[As]C=P[P-]1

DOS

IR

Vibrations