Geometry & MOs

Info

ID:	320003
PubChem CID:	126657793
Reduced:	FN3O5C16H22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	353.97828
ΔH_f, kcal/mol:	-240.5
Dipole, Da:	6.81
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-but-1-ynylphenyl)pyrazol-1-yl]-iodophosphane

Drug info:

PubChemData

Smile

CC(=O)O[C@H](CN)CN(C1=CC(=C(C=C1)N2CCOCC2)F)C(=O)O

DOS

IR

Vibrations