Geometry & MOs

Info

ID:	283200
PubChem CID:	103963921
Reduced:	SN4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	67.58
Dipole, Da:	5.88
IP(EA), eV:	-8.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-nitroquinolin-4-yl)amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1C)SC2=C(C=NC3=CC=CC=C32)N)C

DOS

IR

Vibrations