Geometry & MOs

Info

ID:	71739
PubChem CID:	48415294
Reduced:	N2O2F3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	361.160183
ΔH_f, kcal/mol:	-167.06
Dipole, Da:	1.59
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-but-3-ynylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations