Geometry & MOs

Info

ID:	185823
PubChem CID:	77355313
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	315.084161
ΔH_f, kcal/mol:	-65.38
Dipole, Da:	5.08
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-(4-phenylthiophen-2-yl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCCCOC(=C1C(=O)N=C2C(CNN2C1=O)C3=CC(=CS3)C4=CC=CC=C4)O

DOS

IR

Vibrations