Geometry & MOs

Info

ID:	355370
PubChem CID:	127288431
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	-32.96
Dipole, Da:	4.09
IP(EA), eV:	-10.05(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)N2CCN3C=NN=C3C2

DOS

IR

Vibrations