Geometry & MOs

Info

ID:	443248
PubChem CID:	135258281
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	328.0171
ΔH_f, kcal/mol:	-92.82
Dipole, Da:	2.47
IP(EA), eV:	-8.42(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5S)-2-(4-amino-6-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCOCCCC1=CC=C(C=C1)OC(C)C

DOS

IR

Vibrations