Geometry & MOs

Info

ID:	294917
PubChem CID:	117505249
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-212.39
Dipole, Da:	4.52
IP(EA), eV:	-9.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-benzoxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(CC(=O)O)C2CC2)O

DOS

IR

Vibrations