Geometry & MOs

Info

ID:	318377
PubChem CID:	126650975
Reduced:	ClFN2O3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	314.118591
ΔH_f, kcal/mol:	-142.02
Dipole, Da:	3.16
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-2H-indazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)CN3CC(=O)N(CC3=O)C)F)O

DOS

IR

Vibrations