Geometry & MOs

Info

ID:	297662
PubChem CID:	117625139
Reduced:	NO3C28H31 (1)
Stoich.:	AB3C28D31 (1)
Weight, g/mol:	230.102842
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	5.56
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-(triazol-1-yl)ethyl]purin-6-amine

Drug info:

PubChemData

Smile

CCN(CCO)CC1=CC=C(C=C1)/C=C(\C)/C2=C(OC(=O)C=C2C3=CC=CC=C3)/C=C/C

DOS

IR

Vibrations