Geometry & MOs

Info

ID:	375005
PubChem CID:	131465131
Reduced:	NSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-39.05
Dipole, Da:	1.97
IP(EA), eV:	-9.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=NS2)C(=O)O

DOS

IR

Vibrations