Geometry & MOs

Info

ID:	418295
PubChem CID:	135104085
Reduced:	OSF3N5C16H18 (1)
Stoich.:	ABC3D5E16F18 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	3.43
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C=NC=C1CNC(=O)C2=CC3=C(S2)N(N=C3C(F)(F)F)C

DOS

IR

Vibrations