Geometry & MOs

Info

ID:	391576
PubChem CID:	135006628
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-141.25
Dipole, Da:	3.41
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(2-methylindazol-7-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)NN1C([C@H](OC1=O)C)CC2=CC=CC=C2

DOS

IR

Vibrations