Geometry & MOs

Info

ID:	283658
PubChem CID:	103996247
Reduced:	FN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	330.080491
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	3.15
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chlorothiophen-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)N=C3CCCCC3=C2NN

DOS

IR

Vibrations