Geometry & MOs

Info

ID:	297745
PubChem CID:	117628828
Reduced:	N2O4C22H23 (2)
Stoich.:	A2B4C22D23 (2)
Weight, g/mol:	259.086938
ΔH_f, kcal/mol:	-232.07
Dipole, Da:	7.42
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluorophenyl)methylamino]-3,7-dihydropurin-2-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2OC3=CC=CC=C31)C(=O)OC4CCC(CC4)N(C)CCCN5C6=C(C=C(C=C6)CNC[C@H](C7=C8C=CC(=O)NC8=C(C=C7)O)O)OC5=O

DOS

IR

Vibrations