Geometry & MOs

Info

ID:	226921
PubChem CID:	87558955
Reduced:	PN4O9C24H39 (1)
Stoich.:	AB4C9D24E39 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-459.29
Dipole, Da:	5.7
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-2-(8-methoxyquinolin-4-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)[C@H](N)P(=O)(O)OC(C1=CC(=CC=C1)N(/C(=N/C(=O)OC(C)(C)C)/N)C(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations