Geometry & MOs

Info

ID:	441478
PubChem CID:	135235290
Reduced:	N3O5F7C20H24 (1)
Stoich.:	A3B5C7D20E24 (1)
Weight, g/mol:	281.112404
ΔH_f, kcal/mol:	-557.62
Dipole, Da:	8.27
IP(EA), eV:	-9.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-(5-ethyl-3,4-dihydroxyoxolan-2-yl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C(=O)N(C2=C(O1)C=CC(=C2)F)C(C(F)F)F)NC(=O)C(CC)(C(NCC(F)(F)F)O)O

DOS

IR

Vibrations