Geometry & MOs

Info

ID:	418125
PubChem CID:	135103626
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	1.91
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations