Geometry & MOs

Info

ID:	80082
PubChem CID:	49832771
Reduced:	FON9C27H36 (1)
Stoich.:	ABC9D27E36 (1)
Weight, g/mol:	419.078517
ΔH_f, kcal/mol:	21.18
Dipole, Da:	8.1
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chlorophenyl)-N-(1H-indol-4-yl)-2,7-dioxo-1,4-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1C3=NC4=C(C(=N3)N5CCOCC5)N=C(N4C)CN6CC[C@@H]([C@@H](C6)F)N(C)C

DOS

IR

Vibrations