Geometry & MOs

Info

ID:	40044
PubChem CID:	8143480
Reduced:	SN4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	331.165782
ΔH_f, kcal/mol:	41.49
Dipole, Da:	4.08
IP(EA), eV:	-8.14(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[[(2R)-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]1CCCCN1CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

DOS

IR

Vibrations