Geometry & MOs

Info

ID:	369104
PubChem CID:	127331264
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	2.33
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations