Geometry & MOs

Info

ID:	281902
PubChem CID:	103914520
Reduced:	FNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-162.15
Dipole, Da:	6.89
IP(EA), eV:	-9.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC2CCCS(=O)(=O)C2)F

DOS

IR

Vibrations