Geometry & MOs

Info

ID:	368728
PubChem CID:	127329947
Reduced:	OSN2C14H26 (1)
Stoich.:	ABC2D14E26 (1)
Weight, g/mol:	297.187484
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	3.46
IP(EA), eV:	-8.68(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(thian-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCCCN1C(=O)NC2CCSCC2

DOS

IR

Vibrations