Geometry & MOs

Info

ID:	294528
PubChem CID:	117467513
Reduced:	NSO3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	3.09
IP(EA), eV:	-8.64(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCCC1C2=CC=CC=C2C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations