Geometry & MOs

Info

ID:	315619
PubChem CID:	126628224
Reduced:	BrFN3O3C16H21 (1)
Stoich.:	ABC3D3E16F21 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-189.3
Dipole, Da:	1.55
IP(EA), eV:	-9.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-acetyl-5-cyclopentyloxyindazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@H](CN2C(=O)OC(C)(C)C)F

DOS

IR

Vibrations