Geometry & MOs

Info

ID:	441676
PubChem CID:	135239988
Reduced:	NO3C20H37 (1)
Stoich.:	AB3C20D37 (1)
Weight, g/mol:	449.127009
ΔH_f, kcal/mol:	-191.87
Dipole, Da:	1.87
IP(EA), eV:	-9.77(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,3,8-trimethyl-1,5-dioxo-2H-imidazo[1,5-a]pyridin-6-yl)amino]thieno[2,3-d]pyrimidine-6-carbonyl]azetidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCCCC/C=C\CCC(=O)NCC(=O)OCC

DOS

IR

Vibrations