Geometry & MOs

Info

ID:	369392
PubChem CID:	127333014
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	350.144199
ΔH_f, kcal/mol:	-29.28
Dipole, Da:	4.01
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations