Geometry & MOs

Info

ID:	124883
PubChem CID:	50901267
Reduced:	NO2H23C27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	359.107692
ΔH_f, kcal/mol:	18.24
Dipole, Da:	2.49
IP(EA), eV:	-8.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(OC(C3=CC4=CC=CC=C4N=C32)OC)C5=CC=CC=C5

DOS

IR

Vibrations