Geometry & MOs

Info

ID:	421204
PubChem CID:	135115556
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	307.169605
ΔH_f, kcal/mol:	-65.76
Dipole, Da:	3.68
IP(EA), eV:	-8.41(-0.3)
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]-(5-fluoropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NC2CCN(CC2)CC3=CC=CC=C3F)C(=O)N

DOS

IR

Vibrations