Geometry & MOs

Info

ID:	422841
PubChem CID:	135118498
Reduced:	FSN3O4C16H22 (1)
Stoich.:	ABC3D4E16F22 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-173.35
Dipole, Da:	5.11
IP(EA), eV:	-9.22(-0.7)
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-naphthalen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)NCC(=O)N2CC(C2)N3CCOCC3

DOS

IR

Vibrations