Geometry & MOs

Info

ID:	177476
PubChem CID:	76191298
Reduced:	O4C19H22 (2)
Stoich.:	A4B19C22 (2)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-297.85
Dipole, Da:	11.38
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylcyclopentyl)-N-(1-oxamoylcyclobutyl)-2-(propanoylamino)propanamide

Drug info:

PubChemData

Smile

CC(=CCC1=C2C(=C(C3=C1OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C7C8CCC(C7C8(C)C)(O2)C)C

DOS

IR

Vibrations