Geometry & MOs

Info

ID:	368579
PubChem CID:	127329541
Reduced:	SN3O4C15H29 (1)
Stoich.:	AB3C4D15E29 (1)
Weight, g/mol:	332.14193
ΔH_f, kcal/mol:	-179.77
Dipole, Da:	7.5
IP(EA), eV:	-8.9(0.56)
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)-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1CN(CCN1CCOC)C(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations