Geometry & MOs

Info

ID:	355684
PubChem CID:	127289665
Reduced:	O3N5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-137.72
Dipole, Da:	7.05
IP(EA), eV:	-8.75(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3CCC(=O)N3

DOS

IR

Vibrations