Geometry & MOs

Info

ID:	83154
PubChem CID:	49857218
Reduced:	S2N3O8H19C26 (1)
Stoich.:	A2B3C8D19E26 (1)
Weight, g/mol:	392.246378
ΔH_f, kcal/mol:	-97.12
Dipole, Da:	9.61
IP(EA), eV:	-9.66(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])O)C(=O)C5=CC=CO5

DOS

IR

Vibrations