Geometry & MOs

Info

ID:	80025
PubChem CID:	49832276
Reduced:	SO3N7C27H33 (1)
Stoich.:	AB3C7D27E33 (1)
Weight, g/mol:	299.090606
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	4.2
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,7-dioxo-5-phenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2O1)C3=NC(=C4C(=N3)SC(=N4)CN5CCN(CC5)C(C)(C)C(=O)N)N6CCOCC6

DOS

IR

Vibrations