Geometry & MOs

Info

ID:	392456
PubChem CID:	135016552
Reduced:	SN2O4C32H32 (1)
Stoich.:	AB2C4D32E32 (1)
Weight, g/mol:	216.051047
ΔH_f, kcal/mol:	-90.34
Dipole, Da:	4.27
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,7-trifluoro-6-methoxy-2-methylindazole

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H]2CCC3=C(C[C@H]2C(=O)N4[C@H]1OC[C@H]4C5=CC=CC=C5)C6=CC=CC=C6N3S(=O)(=O)C7=CC=CC=C7

DOS

IR

Vibrations