Geometry & MOs

Info

ID:	335597
PubChem CID:	127254459
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	355.161995
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	5.53
IP(EA), eV:	-8.64(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C2CSCC2=NN1C

DOS

IR

Vibrations