Geometry & MOs

Info

ID:	449657
PubChem CID:	135300372
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	422.136588
ΔH_f, kcal/mol:	54.63
Dipole, Da:	7.45
IP(EA), eV:	-8.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoropiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

Drug info:

PubChemData

Smile

CCCCS(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)OC)C4=CN(N=C4C)C

DOS

IR

Vibrations