Geometry & MOs

Info

ID:	400652
PubChem CID:	135048639
Reduced:	BOC20H31 (1)
Stoich.:	ABC20D31 (1)
Weight, g/mol:	321.145954
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	1.83
IP(EA), eV:	-8.97(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethylazaniumylidynemethyl(triethoxyphosphaniumyl)boranuide;tetrafluoroborate

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)O/C(=C\CC#CC3CCCCC3)/C

DOS

IR

Vibrations