Geometry & MOs

Info

ID:	298948
PubChem CID:	117664426
Reduced:	SN2O3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-44.01
Dipole, Da:	2.91
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-methyl-5-oxo-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=C(C=C2)C3=CN=C(S3)C4=CC=C(C=C4)COC(=O)C5CNC5

DOS

IR

Vibrations