Geometry & MOs

Info

ID:	335456
PubChem CID:	127254318
Reduced:	N4O4H16C19 (1)
Stoich.:	A4B4C16D19 (1)
Weight, g/mol:	343.089224
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	5.27
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)C2=C(NC(=O)N2)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations