Geometry & MOs

Info

ID:	368525
PubChem CID:	127329347
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-128.57
Dipole, Da:	2.95
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)CCS(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations