Geometry & MOs

Info

ID:	279988
PubChem CID:	103846103
Reduced:	ClFNO4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-236.13
Dipole, Da:	5.18
IP(EA), eV:	-10.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC(=O)O)C1=C(C=C(C=C1)F)Cl

DOS

IR

Vibrations