Geometry & MOs

Info

ID:	122463
PubChem CID:	50807517
Reduced:	ClO2N3C28H30 (1)
Stoich.:	AB2C3D28E30 (1)
Weight, g/mol:	479.224263
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	4.73
IP(EA), eV:	-8.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC=CO2)CC3=CC4=CC=CC=C4N3CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations