Geometry & MOs

Info

ID:	360262
PubChem CID:	127300905
Reduced:	O3N6C17H20 (1)
Stoich.:	A3B6C17D20 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	10.32
IP(EA), eV:	-9.44(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)N3CCN4C(=NN=C4C(C)C)C3

DOS

IR

Vibrations