Geometry & MOs

Info

ID:	51504
PubChem CID:	12014182
Reduced:	O5H16C22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	576.273656
ΔH_f, kcal/mol:	-121.8
Dipole, Da:	8.46
IP(EA), eV:	-8.84(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclohexyl-2-[(R)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC3=C(C(=O)C=CC3=C2C4=CC=CC=C4C(=O)O)C)O

DOS

IR

Vibrations