Geometry & MOs

Info

ID:	40045
PubChem CID:	8143481
Reduced:	N2O4C18H23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-111.56
Dipole, Da:	14.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.862885
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H]1CCCC[NH+]1CN2C3=CC4=C(C=C3C(=O)C2=O)OCCO4

DOS

IR

Vibrations