Geometry & MOs

Info

ID:	423311
PubChem CID:	135119295
Reduced:	FNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	306.210742
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	4.58
IP(EA), eV:	-8.89(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[(2-fluoro-5-methylphenyl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

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C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC=C(C=C3)F)O

DOS

IR

Vibrations