Geometry & MOs

Info

ID:	128038
PubChem CID:	51028246
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-156.02
Dipole, Da:	1.84
IP(EA), eV:	-9.24(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-4-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-11-thione

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CCC[C@H]2CC3=CC=CC=C3[C@@H]1[C@@H]2OC(=O)C

DOS

IR

Vibrations