Geometry & MOs

Info

ID:	426594
PubChem CID:	135151332
Reduced:	ClFOSN7H25C27 (1)
Stoich.:	ABCDE7F25G27 (1)
Weight, g/mol:	380.170922
ΔH_f, kcal/mol:	57.82
Dipole, Da:	6.65
IP(EA), eV:	-8.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-[(3R)-oxan-3-yl]purin-8-one

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=C(C=C2)C3=CC4=NN(C=C4C=C3)C(C5=CC(=CC=C5)F)C(=O)NC6=NC=CS6.Cl

DOS

IR

Vibrations