Geometry & MOs

Info

ID:	317225
PubChem CID:	126634473
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	2.68
IP(EA), eV:	-8.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R)-2-[4-(dimethylamino)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)(C)CC(COC1=CC=CC2=CC=CC=C21)OC(C)(C)C

DOS

IR

Vibrations