Geometry & MOs

Info

ID:	80029
PubChem CID:	49832295
Reduced:	FO2N4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	352.072703
ΔH_f, kcal/mol:	-18.37
Dipole, Da:	8.36
IP(EA), eV:	-8.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-5-(3-chlorophenyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)N3C(=C(C(=O)N3)NC4=CC=C(C=C4)F)N2

DOS

IR

Vibrations