Geometry & MOs

Info

ID:	353015
PubChem CID:	127284165
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	3.21
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCCC3C4=CC=NC=C4

DOS

IR

Vibrations