Geometry & MOs

Info

ID:	392881
PubChem CID:	135018291
Reduced:	C13H24 (2)
Stoich.:	A13B24 (2)
Weight, g/mol:	447.150246
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	0.29
IP(EA), eV:	-9.75(3.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[5-cyano-7-(dimethylamino)triazolo[4,5-d]pyrimidin-2-yl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCC12CCCC3CCC(CCCC(CCCC(CC3)CC1)C)CC2

DOS

IR

Vibrations