Geometry & MOs

Info

ID:	154785
PubChem CID:	56314310
Reduced:	ClFNO2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	426.268257
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	2.05
IP(EA), eV:	-9.42(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(adamantane-1-carbonyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)COC1=CC(=CC=C1)Cl)C2=CC=CC=C2F

DOS

IR

Vibrations