Geometry & MOs

Info

ID:	317561
PubChem CID:	126643448
Reduced:	F2N3O3H21C24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	416.08479
ΔH_f, kcal/mol:	-146.18
Dipole, Da:	3.92
IP(EA), eV:	-8.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-bromo-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)[C@@H]2CNC(=O)[C@H]2NC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4)F

DOS

IR

Vibrations