Geometry & MOs

Info

ID:	367840
PubChem CID:	127325948
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	6.49
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indazol-3-yl)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations