Geometry & MOs

Info

ID:	234975
PubChem CID:	92303813
Reduced:	Cl2N2O2H20C21 (1)
Stoich.:	A2B2C2D20E21 (1)
Weight, g/mol:	402.090183
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	2.48
IP(EA), eV:	-8.52(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C[C@@H](C2=CC(=C(C=C2)Cl)Cl)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations