Geometry & MOs

Info

ID:	185822
PubChem CID:	77354534
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	3.21
IP(EA), eV:	-9.14(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[butoxy(hydroxy)methylidene]-3-(4-phenylthiophen-2-yl)-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

CCC(C)COC(C)C(=O)OC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations