Geometry & MOs

Info

ID:	199445
PubChem CID:	79247072
Reduced:	ClNSO5C13H18 (1)
Stoich.:	ABCD5E13F18 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-206.96
Dipole, Da:	3.98
IP(EA), eV:	-9.84(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(6-nitroquinolin-2-yl)amino]butan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)Cl

DOS

IR

Vibrations