Geometry & MOs

Info

ID:	176895
PubChem CID:	76108108
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-106.19
Dipole, Da:	7.03
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-amino-6-oxo-1,2,3,4,5,7,8,9-octahydropurin-8-yl)-2-phenylethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OCCN(C)C)C

DOS

IR

Vibrations