Geometry & MOs

Info

ID:	222813
PubChem CID:	85332606
Reduced:	ClN2F3O4C27H32 (1)
Stoich.:	AB2C3D4E27F32 (1)
Weight, g/mol:	504.223592
ΔH_f, kcal/mol:	-312.99
Dipole, Da:	4.55
IP(EA), eV:	-8.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-methoxy-6-(2-piperidin-1-ylethoxy)-2,3-dihydroindol-1-yl]-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1OC(F)(F)F)C(=O)N2CCC3=CC(=C(C=C32)OCCN4CCCCC4)OC.Cl

DOS

IR

Vibrations