Geometry & MOs

Info

ID:	444467
PubChem CID:	135262564
Reduced:	ON3C13H17 (2)
Stoich.:	AB3C13D17 (2)
Weight, g/mol:	290.98686
ΔH_f, kcal/mol:	-5.69
Dipole, Da:	2.77
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azetidin-1-yl)-6-iodo-2-methoxypyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4CCOC4)N(N=C2)C5=CC(=NC(=N5)C)N6CC(C6)(C)O

DOS

IR

Vibrations