Geometry & MOs

Info

ID:	137987
PubChem CID:	52296184
Reduced:	FON6C23H28 (1)
Stoich.:	ABC6D23E28 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	39.96
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125919
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(cyclopropylmethyl)-1-(3-phenylfuran-2-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1[C@@H](CC2=CC(=CC=C2)F)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations