Geometry & MOs

Info

ID:	340378
PubChem CID:	127262389
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-97.89
Dipole, Da:	3.64
IP(EA), eV:	-9.24(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butoxy-1-hydroxyethyl) cyclohexanecarboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations