Geometry & MOs

Info

ID:	182112
PubChem CID:	76845895
Reduced:	S2N3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	180.00904
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	3.24
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1H-indazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=NC2=C1C=CC(=C2)C(=O)N3CCSC3=S

DOS

IR

Vibrations