Geometry & MOs

Info

ID:	443475
PubChem CID:	135259160
Reduced:	ClON5H14C18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	409.120861
ΔH_f, kcal/mol:	99.47
Dipole, Da:	4.22
IP(EA), eV:	-8.75(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=C3)C(=C1)NC4=NC=NC5=C4C=C(C=C5)Cl)C

DOS

IR

Vibrations