Geometry & MOs

Info

ID:	378935
PubChem CID:	134228452
Reduced:	O11C18H34 (1)
Stoich.:	A11B18C34 (1)
Weight, g/mol:	389.12478
ΔH_f, kcal/mol:	-500.96
Dipole, Da:	3.3
IP(EA), eV:	-9.52(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-amino-5-fluoropyrimidin-2-yl)amino]-4,4-bis(hydroxymethyl)-2-methyl-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one

Drug info:

PubChemData

Smile

CC(C)(C1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC)O)O)OC)O)OC)O

DOS

IR

Vibrations