Geometry & MOs

Info

ID:	235244
PubChem CID:	92304271
Reduced:	ClFON2H22C25 (1)
Stoich.:	ABCD2E22F25 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-20.62
Dipole, Da:	5.99
IP(EA), eV:	-8.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)NCC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations