Geometry & MOs

Info

ID:	191704
PubChem CID:	78179646
Reduced:	O3N5H11C13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	267.11201
ΔH_f, kcal/mol:	-8.19
Dipole, Da:	7.54
IP(EA), eV:	-9.54(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-9-prop-2-enyl-5H-purin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=O)C3C(=N2)N(C=N3)CC(=O)O

DOS

IR

Vibrations