Geometry & MOs

Info

ID:	319985
PubChem CID:	126657734
Reduced:	ClFNO3H29C30 (1)
Stoich.:	ABCD3E29F30 (1)
Weight, g/mol:	353.97828
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	6.77
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-but-1-ynylphenyl)pyrazol-1-yl]-iodophosphane

Drug info:

PubChemData

Smile

C1CC(C1)/C(=C(\C2C=CC(=C2)N3CCOCC3)/C4=CC=C(C=C4)/C=C/C(=O)O)/C5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations