Geometry & MOs

Info

ID:	179076
PubChem CID:	76430063
Reduced:	ClN4O4C16H19 (1)
Stoich.:	AB4C4D16E19 (1)
Weight, g/mol:	487.244662
ΔH_f, kcal/mol:	-163.82
Dipole, Da:	4.34
IP(EA), eV:	-8.87(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-indol-3-ylmethyl)-N-(2-methylpropyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)NC2CC3C(=O)NC(C(=O)N3C2)CO

DOS

IR

Vibrations