Geometry & MOs

Info

ID:	285746
PubChem CID:	104124307
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	4.44
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)methyl-methylamino]-6-methylpyridin-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)SC2CCOCC2)C(=O)O

DOS

IR

Vibrations