Geometry & MOs

Info

ID:	335899
PubChem CID:	127254761
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	350.110294
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	3.52
IP(EA), eV:	-8.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)NCC2=NC3=CC=CC=C3N2C

DOS

IR

Vibrations