Geometry & MOs

Info

ID:	13458
PubChem CID:	233783
Reduced:	Cl2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	307.039151
ΔH_f, kcal/mol:	85.14
Dipole, Da:	6.52
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-7-methylpurin-6-amine

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=NC=N2)NCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations