Geometry & MOs

Info

ID:	263817
PubChem CID:	103400691
Reduced:	BrO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	329.040791
ΔH_f, kcal/mol:	-186.25
Dipole, Da:	5.51
IP(EA), eV:	-10.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

COCCOCCCOCC1=C(C=C(C=C1)C(=O)O)Br

DOS

IR

Vibrations