Geometry & MOs

Info

ID:	446294
PubChem CID:	135273845
Reduced:	O3H19C23 (2)
Stoich.:	A3B19C23 (2)
Weight, g/mol:	389.02364
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	4.57
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-iodo-2-methoxypyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C/C2=CC(=C(C=C2/C=C/C3=CC=C(C=C3)C(=O)C)/C=C/C4=CC=C(C=C4)C(=O)OC)/C=C/C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations