Geometry & MOs

Info

ID:	237849
PubChem CID:	92721952
Reduced:	FON3C28H36 (1)
Stoich.:	ABC3D28E36 (1)
Weight, g/mol:	417.278013
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	3.29
IP(EA), eV:	-8.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CCCNC(=O)CCC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F)C

DOS

IR

Vibrations