Geometry & MOs

Info

ID:	80678
PubChem CID:	49835862
Reduced:	SN5O6C28H33 (1)
Stoich.:	AB5C6D28E33 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	9.24
IP(EA), eV:	-8.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=CC=C3OC)O[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)C)[C@@H](C)CO

DOS

IR

Vibrations