Geometry & MOs

Info

ID:	367426
PubChem CID:	127324588
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	318.216809
ΔH_f, kcal/mol:	-15.24
Dipole, Da:	2.6
IP(EA), eV:	-9.58(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCOC(C3)C4=NC=CS4

DOS

IR

Vibrations