Geometry & MOs

Info

ID:	297047
PubChem CID:	117606988
Reduced:	ClOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	338.058883
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	3.68
IP(EA), eV:	-8.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,4-dichlorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C(=C1)C2CC2)Cl)O

DOS

IR

Vibrations