Geometry & MOs

Info

ID:	273396
PubChem CID:	103771028
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	1.46
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations