Geometry & MOs

Info

ID:	207984
PubChem CID:	80476990
Reduced:	BrOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	3.4
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=CS2)Br)N

DOS

IR

Vibrations