Geometry & MOs

Info

ID:	360267
PubChem CID:	127300910
Reduced:	FO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	9.33
IP(EA), eV:	-9.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations