Geometry & MOs

Info

ID:	411990
PubChem CID:	135084853
Reduced:	ON2C26H32 (2)
Stoich.:	AB2C26D32 (2)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	88.55
Dipole, Da:	12.89
IP(EA), eV:	-6.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6S)-3-ethyl-5-oxa-1-azatricyclo[5.4.0.03,9]undecan-6-yl]quinolin-6-ol

Drug info:

PubChemData

Smile

CCC1C[N+]2(CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)OCC=C)CC5=CC(=CC=C5)C[N+]67CCC(CC6[C@H](C8=CC=NC9=CC=CC=C89)OCC=C)C(C7)CC

DOS

IR

Vibrations