Geometry & MOs

Info

ID:	340568
PubChem CID:	127262579
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	171.043262
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	3.82
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-formyl-1H-indazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)[C@@H]2CCCCN2

DOS

IR

Vibrations