Geometry & MOs

Info

ID:	80683
PubChem CID:	49835875
Reduced:	SN4O6C27H32 (1)
Stoich.:	AB4C6D27E32 (1)
Weight, g/mol:	284.096106
ΔH_f, kcal/mol:	-164.71
Dipole, Da:	5.16
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-fluorophenyl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=NC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)[C@@H](C)CO

DOS

IR

Vibrations