Geometry & MOs

Info

ID:	320896
PubChem CID:	126664170
Reduced:	FN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	201.101445
ΔH_f, kcal/mol:	-28.49
Dipole, Da:	5.6
IP(EA), eV:	-10.28(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbut-1-ynyl)-7H-purin-8-amine

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)F)C3=NC(=O)ON3

DOS

IR

Vibrations