Geometry & MOs

Info

ID:	49630
PubChem CID:	11533412
Reduced:	N2F3O3C28H31 (1)
Stoich.:	A2B3C3D28E31 (1)
Weight, g/mol:	500.220575
ΔH_f, kcal/mol:	-200.61
Dipole, Da:	2.86
IP(EA), eV:	-8.89(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclohexylmethoxy)-N-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]-7H-purin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCC1=C2C=C(C=CC2=NC=C1F)OC)CN(C)C/C=C/C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations