Geometry & MOs

Info

ID:	317414
PubChem CID:	126637422
Reduced:	N2O4C12H17 (2)
Stoich.:	A2B4C12D17 (2)
Weight, g/mol:	458.01452
ΔH_f, kcal/mol:	-304.4
Dipole, Da:	2.65
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-[[5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy]quinoline

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H](C2O1)N3C=CC4=C3N=CN=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CO)C

DOS

IR

Vibrations