Geometry & MOs

Info

ID:	411141
PubChem CID:	135083951
Reduced:	HNC2O2F3 (1)
Stoich.:	ABC2D2E3 (1)
Weight, g/mol:	294.211253
ΔH_f, kcal/mol:	-119.12
Dipole, Da:	1.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.812142
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethynyl(dicyclohexyl)phosphane

Drug info:

PubChemData

Smile

[C-](=[N+](O)[O-])C(F)(F)F

DOS

IR

Vibrations