Geometry & MOs

Info

ID:	191097
PubChem CID:	78103144
Reduced:	FON4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	448.9391
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	1.66
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(iodomethyl)-2-methyl-3a-phenylselanyl-4,5,6,6a-tetrahydrocyclopenta[c]pyrrole-1,3-dione

Drug info:

PubChemData

Smile

CCN1C2CC(CCC2C3C(C1=O)CNN3)C4=C(C=NC=C4)F

DOS

IR

Vibrations