Geometry & MOs

Info

ID:	253676
PubChem CID:	103119948
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	215.091943
ΔH_f, kcal/mol:	-57.0
Dipole, Da:	6.42
IP(EA), eV:	-9.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8Z)-8-(2-methyl-1H-pyrazol-5-ylidene)purin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=C(N=NN2C(C)COC)C(=O)O

DOS

IR

Vibrations