Geometry & MOs

Info

ID:	436974
PubChem CID:	135213417
Reduced:	O5C24H44 (1)
Stoich.:	A5B24C44 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-261.83
Dipole, Da:	2.26
IP(EA), eV:	-9.61(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 7-O-tert-butyl 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3,7-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCOC(C)COC(C)COC(C)COC(=O)CCC=CCCC=CC

DOS

IR

Vibrations