Geometry & MOs

Info

ID:	332098
PubChem CID:	127250384
Reduced:	FO2N3H24C26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-39.86
Dipole, Da:	6.11
IP(EA), eV:	-8.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CNC3=CC=CC=C32)C4=NC=C(C=C4)C5=CC=CC=C5F

DOS

IR

Vibrations