Geometry & MOs

Info

ID:	368533
PubChem CID:	127329361
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-41.22
Dipole, Da:	4.72
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylcyclohexyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=C(N=C(C=C3)C)C

DOS

IR

Vibrations