Geometry & MOs

Info

ID:	189500
PubChem CID:	77866354
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	430.202321
ΔH_f, kcal/mol:	34.76
Dipole, Da:	3.44
IP(EA), eV:	-8.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bicyclo[3.3.1]nonanyl)-N-[6-chloro-2-(3,4-dihydroxybutyl)quinolin-5-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(CNC2=CCC(S2)C3=CC4=C(C=C3)C=NC=C4)N

DOS

IR

Vibrations