Geometry & MOs

Info

ID:	311037
PubChem CID:	126588903
Reduced:	INSO2C20H24 (1)
Stoich.:	ABCD2E20F24 (1)
Weight, g/mol:	385.105641
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	2.42
IP(EA), eV:	-8.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2I)N(C)C(=O)SC)C

DOS

IR

Vibrations