Geometry & MOs

Info

ID:	365758
PubChem CID:	127318483
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	1.03
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxabicyclo[2.2.1]heptan-2-yl-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4

DOS

IR

Vibrations