Geometry & MOs

Info

ID:	348490
PubChem CID:	127273601
Reduced:	F2O2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	378.065031
ΔH_f, kcal/mol:	-103.3
Dipole, Da:	5.55
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-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)F)F

DOS

IR

Vibrations