Geometry & MOs

Info

ID:	317483
PubChem CID:	126638608
Reduced:	O4N5C21H21 (1)
Stoich.:	A4B5C21D21 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	7.33
IP(EA), eV:	-8.65(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5R)-2-[2-(2-aminoquinolin-7-yl)ethyl]-5-pyrrolo[2,3-d]pyrimidin-7-yloxolan-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C=C2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC5=C(N=CN=C54)N)O)O)N=C1

DOS

IR

Vibrations