Geometry & MOs

Info

ID:	355659
PubChem CID:	127289624
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	4.83
IP(EA), eV:	-8.63(-0.87)
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-indole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N(C)C2CCN(CC2)CC(=O)N3CCN(CC3)C

DOS

IR

Vibrations