Geometry & MOs

Info

ID:	419771
PubChem CID:	135109044
Reduced:	FON2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	354.175499
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	3.73
IP(EA), eV:	-8.51(-0.31)
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]-(3,5-difluoro-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=NN(C=C3)C(F)F)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations