Geometry & MOs

Info

ID:	314817
PubChem CID:	126623480
Reduced:	BrSO6N8H25C26 (1)
Stoich.:	ABC6D8E25F26 (1)
Weight, g/mol:	215.069477
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	3.52
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyano-1H-indazole-5-carboxylate

Drug info:

PubChemData

Smile

C1C=CCN(C1C(=O)NC2=NC(=CC=C2)Br)S(=O)(=O)CN3C=C(C4=C3C=CC(=C4)NC(=O)NCC5=NOC=C5)C(=O)N

DOS

IR

Vibrations