Geometry & MOs

Info

ID:	40046
PubChem CID:	8143482
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	331.165782
ΔH_f, kcal/mol:	-124.6
Dipole, Da:	6.95
IP(EA), eV:	-8.69(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-f]indole-7,8-dione

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1CN2C3=CC4=C(C=C3C(=O)C2=O)OCCO4

DOS

IR

Vibrations