Geometry & MOs

Info

ID:	17696
PubChem CID:	512577
Reduced:	ClN5C15H16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	301.109423
ΔH_f, kcal/mol:	78.46
Dipole, Da:	3.97
IP(EA), eV:	-8.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)Cl

DOS

IR

Vibrations