Geometry & MOs

Info

ID:	305826
PubChem CID:	124970878
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	4.98
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyridin-2-yl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@H]2CCCN2C(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations