Geometry & MOs

Info

ID:	197549
PubChem CID:	78976498
Reduced:	Cl2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	309.155178
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	3.83
IP(EA), eV:	-9.54(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[methyl-[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)O)NC(=O)NC1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations