Geometry & MOs

Info

ID:	180647
PubChem CID:	76664370
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	560.307081
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	4.7
IP(EA), eV:	-9.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrolidin-3-yl) 4-[3-[6-amino-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)COC2CC(=O)NNC2

DOS

IR

Vibrations