Geometry & MOs

Info

ID:	189461
PubChem CID:	77861272
Reduced:	ON2C30H52 (1)
Stoich.:	AB2C30D52 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-89.19
Dipole, Da:	3.63
IP(EA), eV:	-8.56(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(3,4-dihydroxy-2-methoxybutyl)-5H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)CN1CCN(CC1)C(=O)CC(CC=C(C)CCC=C(C)C)C=C(C)CCC=C(C)C

DOS

IR

Vibrations