Geometry & MOs

Info

ID:	37227
PubChem CID:	8018531
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	368.05394
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	2.17
IP(EA), eV:	-9.74(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-cyanophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations