Geometry & MOs

Info

ID:	404591
PubChem CID:	135067168
Reduced:	ClNOSiC24H28 (1)
Stoich.:	ABCDE24F28 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	1.4
IP(EA), eV:	-9.35(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,9bS)-4-(furan-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(C1=CC=C(C=C1)Cl)C2=CN=CC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations