Geometry & MOs

Info

ID:	234980
PubChem CID:	92303819
Reduced:	FN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	414.126569
ΔH_f, kcal/mol:	-158.71
Dipole, Da:	2.47
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2F)C)COC3=CC=CC=C3

DOS

IR

Vibrations