Geometry & MOs

Info

ID:	362308
PubChem CID:	127307330
Reduced:	ClN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-150.57
Dipole, Da:	3.25
IP(EA), eV:	-9.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydroindol-1-ylmethyl)-N-(1,4-dioxan-2-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC(=O)NCC2COCCO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations