Geometry & MOs

Info

ID:	425882
PubChem CID:	135129155
Reduced:	ON9H15C18 (1)
Stoich.:	AB9C15D18 (1)
Weight, g/mol:	396.148078
ΔH_f, kcal/mol:	151.81
Dipole, Da:	9.87
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C=CC3=C2C(=O)N=C(N3)NC4=CN(N=C4)C5=CC=NC=C5

DOS

IR

Vibrations