Geometry & MOs

Info

ID:	50394
PubChem CID:	12012922
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	3.04
IP(EA), eV:	-9.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,6aS)-5-tert-butyl-2-ethyl-6-phenyl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-1,3,4-trione

Drug info:

PubChemData

Smile

CC1C(O1)(C)CC2=CC=C(C=C2)C(=O)NCCO

DOS

IR

Vibrations