Geometry & MOs

Info

ID:	422347
PubChem CID:	135117674
Reduced:	O2F3N3C19H20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	339.231063
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	5.77
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-[(8-methylquinolin-5-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C4=NC=CC(=N4)C(F)(F)F)OCC2

DOS

IR

Vibrations