Geometry & MOs

Info

ID:	74699
PubChem CID:	48422312
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	333.101034
ΔH_f, kcal/mol:	-145.09
Dipole, Da:	4.08
IP(EA), eV:	-8.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1(CCCC1)C2=CC3=C(C=C2)OCCO3)OCC4CC4

DOS

IR

Vibrations