Geometry & MOs

Info

ID:	422615
PubChem CID:	135118143
Reduced:	O2F3N3C15H16 (1)
Stoich.:	A2B3C3D15E16 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-167.94
Dipole, Da:	2.33
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C3=CC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations