Geometry & MOs

Info

ID:	136543
PubChem CID:	52059709
Reduced:	O2N5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	37.95
Dipole, Da:	10.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.917617
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCNC(=O)C1CC[NH+](CC1)CC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations