Geometry & MOs

Info

ID:	164802
PubChem CID:	74455090
Reduced:	FN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	5.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123988
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(cyclopropylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[NH+]1C(CC(C1C2=CC=CC=C2F)C(=O)NC3CC3)C(=O)OC

DOS

IR

Vibrations