Geometry & MOs

Info

ID:	178861
PubChem CID:	76392244
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	470.264154
ΔH_f, kcal/mol:	-32.01
Dipole, Da:	1.63
IP(EA), eV:	-8.79(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-6-oxo-5H-purin-9-yl)methoxy]ethyl 3-[(dibutylamino)methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CC1(CCN(C1)CC2CC2)C3=CC(=CC=C3)O

DOS

IR

Vibrations