Geometry & MOs

Info

ID:	426864
PubChem CID:	135154253
Reduced:	FON7C18H22 (1)
Stoich.:	ABC7D18E22 (1)
Weight, g/mol:	394.185235
ΔH_f, kcal/mol:	24.91
Dipole, Da:	3.94
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(3S,4R)-3-methyl-1,7-diazaspiro[3.4]octane-1-carbonyl] oxalate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=C(C(=C(C=C2)OC)N3C=C(C=N3)CNC)F)NC

DOS

IR

Vibrations