Geometry & MOs

Info

ID:	80674
PubChem CID:	49835844
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	250.146999
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	2.44
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-phenylindazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations