Geometry & MOs

Info

ID:	362220
PubChem CID:	127307233
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	5.81
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)CCCN(C2)C(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations