Geometry & MOs

Info

ID:	186589
PubChem CID:	77449692
Reduced:	N2O6H14C15 (1)
Stoich.:	A2B6C14D15 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-112.48
Dipole, Da:	9.77
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenoxycyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1COC(C(=O)N1C2=CC=CC3=NC(=O)C=CC32)(CC(=O)O)O

DOS

IR

Vibrations