Geometry & MOs

Info

ID:	85255
PubChem CID:	49873160
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-125.33
Dipole, Da:	3.02
IP(EA), eV:	-8.71(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-[3-[(3-hydroxycyclohexyl)methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)COC2=CC=CC(=C2)C(CCN)O

DOS

IR

Vibrations