Geometry & MOs

Info

ID:	443542
PubChem CID:	135259286
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	452.16306
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	5.19
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-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

C/C(=C(/C)\C(=O)NC1(CCCCC1)C)/C=C(\C(=O)C)/NC2=NC=NC3=C2CNC3

DOS

IR

Vibrations