Geometry & MOs

Info

ID:	175618
PubChem CID:	75928360
Reduced:	O3N7H23C25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	426.165168
ΔH_f, kcal/mol:	43.52
Dipole, Da:	4.71
IP(EA), eV:	-8.73(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-aminopurin-9-yl)propyl 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)OCCCN3C=NC4=C(N=CN=C43)N)C5=CC=CC=C5

DOS

IR

Vibrations