Geometry & MOs

Info

ID:	359328
PubChem CID:	127298375
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	7.11
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1H-indazole-7-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CNC4=CC=CC=C4C3=O

DOS

IR

Vibrations