Geometry & MOs

Info

ID:	171951
PubChem CID:	75445253
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	2.19
Dipole, Da:	8.07
IP(EA), eV:	-8.97(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethylquinolin-4-yl)oxypropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)[N+](=O)[O-])N3CCN(CC3)CC(=O)NC

DOS

IR

Vibrations