Geometry & MOs

Info

ID:	227471
PubChem CID:	87561813
Reduced:	PSN2O7C17H21 (1)
Stoich.:	ABC2D7E17F21 (1)
Weight, g/mol:	247.031253
ΔH_f, kcal/mol:	-315.75
Dipole, Da:	7.84
IP(EA), eV:	-9.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCC(NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)N(C=O)P(=O)(O)O

DOS

IR

Vibrations