Geometry & MOs

Info

ID:	194228
PubChem CID:	78501081
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	5.29
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C

DOS

IR

Vibrations