Geometry & MOs

Info

ID:	425885
PubChem CID:	135129264
Reduced:	OSN8C20H24 (1)
Stoich.:	ABC8D20E24 (1)
Weight, g/mol:	380.153164
ΔH_f, kcal/mol:	90.67
Dipole, Da:	7.98
IP(EA), eV:	-8.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)OC4CCN(CC4)C)N(C=C3)C5=CN(N=C5)C

DOS

IR

Vibrations