Geometry & MOs

Info

ID:	83969
PubChem CID:	49862976
Reduced:	FSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	332.138559
ΔH_f, kcal/mol:	-105.95
Dipole, Da:	4.3
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-8-pyridin-3-yl-7H-purin-6-amine

Drug info:

PubChemData

Smile

C1=COC(=C1)C2C(=C(NC(=S)N2)C3=CC=C(C=C3)F)CCC(=O)O

DOS

IR

Vibrations