Geometry & MOs

Info

ID:	134860
PubChem CID:	51770057
Reduced:	N2O3C23H34 (1)
Stoich.:	A2B3C23D34 (1)
Weight, g/mol:	412.233763
ΔH_f, kcal/mol:	-139.07
Dipole, Da:	3.43
IP(EA), eV:	-9.11(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C/C(=O)N(C)[C@@H](C1=CC(=CC=C1)O)C(=O)NC2CCCCC2

DOS

IR

Vibrations