Geometry & MOs

Info

ID:	406552
PubChem CID:	135078027
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	166.035397
ΔH_f, kcal/mol:	-167.56
Dipole, Da:	8.29
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)-2,5-dihydro-1H-pyrazin-6-one

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C

DOS

IR

Vibrations