Geometry & MOs

Info

ID:	367824
PubChem CID:	127325929
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	8.85
Dipole, Da:	4.57
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indazol-7-yl-[4-(4-methylcyclohexyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)C4CCC(CC4)C

DOS

IR

Vibrations