Geometry & MOs

Info

ID:	76226
PubChem CID:	48424622
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-143.54
Dipole, Da:	3.84
IP(EA), eV:	-9.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC(=O)OC)C1=CC(=CC=C1)Br)OCC2CC2

DOS

IR

Vibrations