Geometry & MOs

Info

ID:	168295
PubChem CID:	74947128
Reduced:	N7O9C34H49 (1)
Stoich.:	A7B9C34D49 (1)
Weight, g/mol:	369.143704
ΔH_f, kcal/mol:	-304.93
Dipole, Da:	4.88
IP(EA), eV:	-9.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(2-phenylethenyl)-5H-purin-6-one

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN1CC(=O)NCC2=CC=C(C=C2)CONC(=O)C(CCC3=CC=CC=C3)N)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations