Geometry & MOs

Info

ID:	317533
PubChem CID:	126643056
Reduced:	F2O3N6C27H30 (1)
Stoich.:	A2B3C6D27E30 (1)
Weight, g/mol:	507.11312
ΔH_f, kcal/mol:	-140.03
Dipole, Da:	5.39
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)N[C@H](C)C(=C(C)C)F)F

DOS

IR

Vibrations