Geometry & MOs

Info

ID:	228159
PubChem CID:	87563550
Reduced:	N2O3S3H6C9 (1)
Stoich.:	A2B3C3D6E9 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	42.66
Dipole, Da:	2.61
IP(EA), eV:	-9.12(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-propoxyphenoxy)quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1=CSC(=N1)SC2=C(C=C(S2)CC=O)[N+](=O)[O-]

DOS

IR

Vibrations