Geometry & MOs

Info

ID:	7359
PubChem CID:	72255
Reduced:	O2N5C9H11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	221.091275
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	9.71
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(4-hydroxybut-2-enyl)-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1CC=CCO)NC(=NC2=O)N

DOS

IR

Vibrations