Geometry & MOs

Info

ID:	143664
PubChem CID:	53245505
Reduced:	F2O3N9H19C23 (1)
Stoich.:	A2B3C9D19E23 (1)
Weight, g/mol:	489.167314
ΔH_f, kcal/mol:	10.33
Dipole, Da:	6.98
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-fluorophenyl)-2-morpholin-4-yl-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=C3C(=N2)N(C=N3)C4=CC(=CC(=C4)F)F)NCC5=NC6=C(N5)C=CC=C6[N+](=O)[O-]

DOS

IR

Vibrations