Geometry & MOs

Info

ID:	211660
PubChem CID:	81049178
Reduced:	INOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-3.59
Dipole, Da:	2.35
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-ethyl-2-methyloxan-4-yl)piperidin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCCC1=COC2=C1C=C(C=C2)I

DOS

IR

Vibrations