Geometry & MOs

Info

ID:

411185

PubChem CID:

135083996

Reduced:

BrOSH8C12 (1)

Stoich.:

ABCD8E12 (1)

Weight, g/mol:

162.044581

ΔHf, kcal/mol:

26.2

Dipole, Da:

1.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.213707

Charge, e:

 0

Chem-info

IUPAC name:

2-ethoxyethynyl(dimethoxy)phosphane

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[O+]=C3C(C=CC=C3S2)Br

DOS

IR

Vibrations