Geometry & MOs

Info

ID:	85784
PubChem CID:	49879115
Reduced:	OSN4C22H28 (1)
Stoich.:	ABC4D22E28 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	10.51
Dipole, Da:	5.09
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)ethyl]-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(SC3=C2C=CC=N3)C(=O)NCCN4CCCCCC4)C

DOS

IR

Vibrations