Geometry & MOs

Info

ID:	159895
PubChem CID:	57288865
Reduced:	NS3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	5.43
IP(EA), eV:	-9.28(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1CCS(=S)(=S)C1

DOS

IR

Vibrations