Geometry & MOs

Info

ID:	247057
PubChem CID:	103067052
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-104.14
Dipole, Da:	5.54
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitroquinolin-8-yl)oxymethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)COC1=CC(=CC=C1)S(=O)(=O)C

DOS

IR

Vibrations