Geometry & MOs

Info

ID:	235225
PubChem CID:	92304243
Reduced:	ClON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	364.195092
ΔH_f, kcal/mol:	-15.11
Dipole, Da:	4.72
IP(EA), eV:	-8.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)C[C@@H](C1=CC=C(C=C1)Cl)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations