Geometry & MOs

Info

ID:	423506
PubChem CID:	135119628
Reduced:	FSN2O2H17C19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	365.222703
ΔH_f, kcal/mol:	-53.29
Dipole, Da:	7.53
IP(EA), eV:	-9.29(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC(=CC(=C3)C#N)F)C4=C1C=CS4

DOS

IR

Vibrations