Geometry & MOs

Info

ID:	69428
PubChem CID:	47170043
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	353.00851
ΔH_f, kcal/mol:	-158.31
Dipole, Da:	6.02
IP(EA), eV:	-9.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC2(CCCC2)C(=O)OC

DOS

IR

Vibrations