Geometry & MOs

Info

ID:	37379
PubChem CID:	8020366
Reduced:	ClN2O4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	10.09
IP(EA), eV:	-9.23(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations