Geometry & MOs

Info

ID:	163537
PubChem CID:	58033984
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	4.9
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,2-oxazol-3-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)CC(=O)C3CCC(CC3)CC4=NC=C(C=C4)[N+]#[C-])OC1=O

DOS

IR

Vibrations