Geometry & MOs

Info

ID:	138009
PubChem CID:	52299326
Reduced:	N2C16H21 (1)
Stoich.:	A2B16C21 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	60.3
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.139425
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CN2CC[NH+]1CC3=CC=CC=C3C

DOS

IR

Vibrations