Geometry & MOs

Info

ID:	7042
PubChem CID:	71046
Reduced:	ON7H11C12 (1)
Stoich.:	AB7C11D12 (1)
Weight, g/mol:	269.102508
ΔH_f, kcal/mol:	55.64
Dipole, Da:	3.48
IP(EA), eV:	-8.73(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4,7-triaminopteridin-6-yl)phenol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N)O

DOS

IR

Vibrations