Geometry & MOs

Info

ID:	348489
PubChem CID:	127273600
Reduced:	ClO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	346.124132
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	5.25
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C2=CC=NN2C1)C(=O)C3CCN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations