Geometry & MOs

Info

ID:	435369
PubChem CID:	135191305
Reduced:	NOF2C11H11 (2)
Stoich.:	ABC2D11E11 (2)
Weight, g/mol:	398.96531
ΔH_f, kcal/mol:	-251.03
Dipole, Da:	8.82
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-8-bromo-2-(1,1-dichloroethyl)purin-6-amine

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1C3=CC=CC=C3C(F)(F)F)CNC4=C(C=C(C=C4)F)C(=O)O

DOS

IR

Vibrations