Geometry & MOs

Info

ID:	137929
PubChem CID:	52285593
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	5.58
IP(EA), eV:	-9.21(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2-cyclopentyloxypyridin-3-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC=N2)CNC(=O)[C@@H]3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations