Geometry & MOs

Info

ID:	141132
PubChem CID:	52822223
Reduced:	F2N2O2H16C19 (1)
Stoich.:	A2B2C2D16E19 (1)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	-101.45
Dipole, Da:	3.63
IP(EA), eV:	-9.39(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-aminopurin-9-yl)propyl 2-(4-methylanilino)benzoate

Drug info:

PubChemData

Smile

C[C@@H](COC1=C(C=C(C=C1)F)F)NC(=O)C2=NC=CC3=CC=CC=C32

DOS

IR

Vibrations