Geometry & MOs

Info

ID:	323748
PubChem CID:	126675989
Reduced:	ClFN2O3C26H44 (1)
Stoich.:	ABC2D3E26F44 (1)
Weight, g/mol:	366.268257
ΔH_f, kcal/mol:	-256.28
Dipole, Da:	5.05
IP(EA), eV:	-8.95(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-cyclohexylethyl)-3-fluoro-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCN1CCC2C(C1)CC(C(N2)C3CCC(CC3)OCC4CCCC(C4)Cl)F)C(=O)O

DOS

IR

Vibrations