Geometry & MOs

Info

ID:	285629
PubChem CID:	104115269
Reduced:	N2O2F3C7H9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	186.100442
ΔH_f, kcal/mol:	-211.01
Dipole, Da:	3.49
IP(EA), eV:	-9.35(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

CN(CC(F)(F)F)C1=NC(=CO1)CO

DOS

IR

Vibrations