Geometry & MOs

Info

ID:	371534
PubChem CID:	127346822
Reduced:	OF3N8H13C14 (1)
Stoich.:	AB3C8D13E14 (1)
Weight, g/mol:	392.120858
ΔH_f, kcal/mol:	-61.56
Dipole, Da:	7.6
IP(EA), eV:	-10.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)N3CCN4C(=NN=C4C(F)(F)F)C3)C

DOS

IR

Vibrations