Geometry & MOs

Info

ID:	346342
PubChem CID:	127270846
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	5.45
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-indazol-7-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NCC3(CCCCC3)N4CCOCC4)NN=C2

DOS

IR

Vibrations