Geometry & MOs

Info

ID:	398139
PubChem CID:	135031971
Reduced:	NO2C22H23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	381.07283
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	3.76
IP(EA), eV:	-8.12(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(2-methoxy-1-methyl-3-phenylcyclopent-2-en-1-yl)-1H-indole

Drug info:

PubChemData

Smile

CC1(CCC(=C1OC)C2=CC=CC=C2)C3=CNC4=C3C=C(C=C4)OC

DOS

IR

Vibrations