Geometry & MOs

Info

ID:	161010
PubChem CID:	57390519
Reduced:	FON6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	447.218287
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	3.54
IP(EA), eV:	-8.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-aminocyclohexyl)-8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=NC(=NC=C3N=C2NC4=CC=CC=C4F)NC5CCC(CC5)O

DOS

IR

Vibrations