Geometry & MOs

Info

ID:	392799
PubChem CID:	135017995
Reduced:	N3C22H22 (1)
Stoich.:	A3B22C22 (1)
Weight, g/mol:	437.209446
ΔH_f, kcal/mol:	109.19
Dipole, Da:	1.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.826555
Charge, e:	0

Chem-info

IUPAC name:

9-[(3aR,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-amino-1H-purin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3[N+](=N2)CC4=CC=CC(=C4)C

DOS

IR

Vibrations