Geometry & MOs

Info

ID:	338488
PubChem CID:	127259180
Reduced:	N2O3C8H12 (1)
Stoich.:	A2B3C8D12 (1)
Weight, g/mol:	325.11365
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	3.54
IP(EA), eV:	-8.94(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-2-phenyl-1H-indol-3-yl)sulfanyl]ethyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=NN1)OCCOC(=O)C

DOS

IR

Vibrations