Geometry & MOs

Info

ID:	443457
PubChem CID:	135259095
Reduced:	BrN3O4C12H18 (1)
Stoich.:	AB3C4D12E18 (1)
Weight, g/mol:	496.189275
ΔH_f, kcal/mol:	-66.84
Dipole, Da:	5.68
IP(EA), eV:	-9.12(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-N-methyl-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)[N+](=O)[O-])NCCOCCOCCN

DOS

IR

Vibrations