Geometry & MOs

Info

ID:	328086
PubChem CID:	126692016
Reduced:	NO5C9H19 (1)
Stoich.:	AB5C9D19 (1)
Weight, g/mol:	416.293997
ΔH_f, kcal/mol:	-238.69
Dipole, Da:	2.02
IP(EA), eV:	-9.89(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-(1-cyclohexyl-1-pyridin-2-ylethyl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-4-methylpent-3-en-2-imine

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@@H](C(O1)OCCN)O)O)CO

DOS

IR

Vibrations