Geometry & MOs

Info

ID:	314589
PubChem CID:	126622356
Reduced:	FO2N5H20C25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	551.10295
ΔH_f, kcal/mol:	34.5
Dipole, Da:	3.02
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=NC3=C(C(=N2)OC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)OC)F

DOS

IR

Vibrations