Geometry & MOs

Info

ID:	446289
PubChem CID:	135273820
Reduced:	O3N6C29H38 (1)
Stoich.:	A3B6C29D38 (1)
Weight, g/mol:	389.02364
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	3.41
IP(EA), eV:	-8.61(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-iodo-2-methoxypyrimidin-4-yl)-3-azabicyclo[3.1.1]heptane-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C(=O)OC(C)(C)C)N(N=C2)C4=CC(=NC(=N4)C)N5CC6CCC(C5)O6

DOS

IR

Vibrations