Geometry & MOs

Info

ID:	204828
PubChem CID:	80014874
Reduced:	SN2C18H36 (1)
Stoich.:	AB2C18D36 (1)
Weight, g/mol:	304.19732
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	3.52
IP(EA), eV:	-8.42(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropane-1-thiol

Drug info:

PubChemData

Smile

CCCC(CCC)(CN1CC2CCCCN2CC1C)CS

DOS

IR

Vibrations