Geometry & MOs

Info

ID:	21980
PubChem CID:	594510
Reduced:	Cl2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	349.086101
ΔH_f, kcal/mol:	61.87
Dipole, Da:	3.16
IP(EA), eV:	-8.46(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2,6-dichlorophenyl)methyl]-N,N-diethylpurin-6-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=NC2=C1N=CN2CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations