Geometry & MOs

Info

ID:	347018
PubChem CID:	127271522
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	3.8
IP(EA), eV:	-8.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propylpyrrolidin-3-yl)methyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)NC(C2CCCO2)C3=CC=CC=C3

DOS

IR

Vibrations