Geometry & MOs

Info

ID:	247760
PubChem CID:	103073171
Reduced:	SN2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	3.53
Dipole, Da:	2.63
IP(EA), eV:	-8.64(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]prop-2-ene-1-thiol

Drug info:

PubChemData

Smile

CN1CCC(C1)CN(C)CC(=C)CS

DOS

IR

Vibrations