Geometry & MOs

Info

ID:	185851
PubChem CID:	77360520
Reduced:	FN3O7C28H36 (1)
Stoich.:	AB3C7D28E36 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-319.2
Dipole, Da:	13.29
IP(EA), eV:	-9.12(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1H-purin-6-one

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C2C(=C1F)CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C2O)O)O)C(=O)N)N(C)C)O)C(C)(C)C

DOS

IR

Vibrations