Geometry & MOs

Info

ID:	290478
PubChem CID:	104622486
Reduced:	ON2F3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	246.159295
ΔH_f, kcal/mol:	-242.35
Dipole, Da:	5.8
IP(EA), eV:	-9.77(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[(1-propan-2-ylcyclopropyl)methyl]-7H-purine-2,6-diamine

Drug info:

PubChemData

Smile

CCC(CN)NC(=O)C1CCCCC1C(F)(F)F

DOS

IR

Vibrations