Geometry & MOs

Info

ID:	305816
PubChem CID:	124970658
Reduced:	N2O3C19H34 (1)
Stoich.:	A2B3C19D34 (1)
Weight, g/mol:	479.116045
ΔH_f, kcal/mol:	-182.72
Dipole, Da:	1.13
IP(EA), eV:	-8.59(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-5-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCC[C@@](CC2)(CN3CCCC3)O)O

DOS

IR

Vibrations