Geometry & MOs

Info

ID:

385321

PubChem CID:

134978788

Reduced:

BN3C5H5 (1)

Stoich.:

AB3C5D5 (1)

Weight, g/mol:

168.168545

ΔHf, kcal/mol:

83.06

Dipole, Da:

1.91

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760050

Charge, e:

 0

Chem-info

IUPAC name:

diethyl-[(Z)-hex-3-en-3-yl]oxyborane

Drug info:

PubChemData

Smile

[B-](C#N)N1C=C(N=C1)C

DOS

IR

Vibrations