Geometry & MOs

Info

ID:	223559
PubChem CID:	85335231
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	431.208803
ΔH_f, kcal/mol:	-174.94
Dipole, Da:	6.23
IP(EA), eV:	-8.06(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-chloro-N-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methyl]-2-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CN3CCCC3C(=C2C4=CC(=C(C(=C4)OC)OC)O)O)OC

DOS

IR

Vibrations