Geometry & MOs

Info

ID:	309158
PubChem CID:	126539146
Reduced:	O5C17H30 (1)
Stoich.:	A5B17C30 (1)
Weight, g/mol:	282.144038
ΔH_f, kcal/mol:	-223.48
Dipole, Da:	1.52
IP(EA), eV:	-9.63(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10S)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-9-yl] propanoate

Drug info:

PubChemData

Smile

CC(C)CCOC(C)(C)C1C(C(CC[C@]12CO2)OC=O)OC

DOS

IR

Vibrations