Geometry & MOs

Info

ID:	80668
PubChem CID:	49835824
Reduced:	SN3O6C25H31 (1)
Stoich.:	AB3C6D25E31 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	1.36
IP(EA), eV:	-9.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-phenylindazole

Drug info:

PubChemData

Smile

C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCOC)O[C@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@@H](C)CO

DOS

IR

Vibrations