Geometry & MOs

Info

ID:	255974
PubChem CID:	103136014
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	245.108565
ΔH_f, kcal/mol:	-127.68
Dipole, Da:	9.85
IP(EA), eV:	-8.45(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyloxolan-2-yl)methyl]thiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCC3=C2C=CC(=C3)C(=O)O

DOS

IR

Vibrations