Geometry & MOs

Info

ID:	263744
PubChem CID:	103394702
Reduced:	ClFNOBr2H13C15 (1)
Stoich.:	ABCDE2F13G15 (1)
Weight, g/mol:	371.03548
ΔH_f, kcal/mol:	-34.33
Dipole, Da:	4.21
IP(EA), eV:	-9.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-4-fluoro-2-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1=C(C(=CC=C1)Br)Cl)C2=CC(=C(C=C2OC)F)Br

DOS

IR

Vibrations