Geometry & MOs

Info

ID:	51512
PubChem CID:	12014191
Reduced:	NO3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	452.173607
ΔH_f, kcal/mol:	-194.82
Dipole, Da:	2.18
IP(EA), eV:	-10.1(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclohexyl-2-[(1R)-1-naphthalen-1-ylethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)C4CCCCC4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations