Geometry & MOs

Info

ID:	373315
PubChem CID:	131313154
Reduced:	NF4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	136.052429
ΔH_f, kcal/mol:	-157.31
Dipole, Da:	4.19
IP(EA), eV:	-9.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynylbicyclo[1.1.1]pentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CNC1C2=CC(=C(C(=C2)F)F)C(F)F

DOS

IR

Vibrations