Geometry & MOs

Info

ID:	314570
PubChem CID:	126622218
Reduced:	BrNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	600.12335
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	5.02
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)-6-(2-phenylmethoxyethoxy)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CNC2=CC(=C(C=C21)Br)OC

DOS

IR

Vibrations