Geometry & MOs

Info

ID:	56130
PubChem CID:	17422075
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	1.82
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C(C(=O)O1)C(=O)/C=C/C2=CC(=CC=C2)OCC=C

DOS

IR

Vibrations