Geometry & MOs

Info

ID:	177349
PubChem CID:	76171910
Reduced:	NO7C21H23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	386.076394
ΔH_f, kcal/mol:	-254.22
Dipole, Da:	7.97
IP(EA), eV:	-9.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl]-7-(2,2,2-trifluoroethyl)-3,4-dihydropyrazino[1,2-c]pyrimidin-5-ium-1,6,8,9-tetrone

Drug info:

PubChemData

Smile

CC(=O)OC1C2C(CCO2)(OC1N3C=CC(=CC3=O)O)COCC4=CC=CC=C4

DOS

IR

Vibrations