Geometry & MOs

Info

ID:	283220
PubChem CID:	103965218
Reduced:	NOSC7H12 (2)
Stoich.:	ABCD7E12 (2)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-91.3
Dipole, Da:	5.02
IP(EA), eV:	-8.62(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NS(=O)(=O)C2=CC(=CS2)N)C

DOS

IR

Vibrations