Geometry & MOs

Info

ID:	433749
PubChem CID:	135173891
Reduced:	SF2O5N7H39C42 (1)
Stoich.:	AB2C5D7E39F42 (1)
Weight, g/mol:	284.257612
ΔH_f, kcal/mol:	-158.28
Dipole, Da:	5.48
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)-2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CCCN3C(=O)CNC(=O)CCCOC4=CC=C(C=C4)C5=CC6=C(NC=C6C(=O)C7=C(C=CC(=C7F)N)F)N=C5

DOS

IR

Vibrations