Geometry & MOs

Info

ID:	237847
PubChem CID:	92721950
Reduced:	FON3C27H34 (1)
Stoich.:	ABC3D27E34 (1)
Weight, g/mol:	449.284241
ΔH_f, kcal/mol:	-59.59
Dipole, Da:	3.87
IP(EA), eV:	-8.31(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1CCCNC(=O)CCC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F

DOS

IR

Vibrations