Geometry & MOs

Info

ID:	29229
PubChem CID:	832450
Reduced:	ClNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	6.31
IP(EA), eV:	-8.72(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-bromo-4,5-diethoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[C@H](C)NC(=O)C2=CC=CC=C2)Cl)OCC

DOS

IR

Vibrations