Geometry & MOs

Info

ID:	392488
PubChem CID:	135016891
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	438.209599
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	1.86
IP(EA), eV:	-8.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R)-1-benzyl-3-(1H-indol-3-yl)-2-phenyl-1,2,3,4-tetrahydrocyclopenta[b]indole

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CCO)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations