Geometry & MOs

Info

ID:	248717
PubChem CID:	103083888
Reduced:	BrSN2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	352.06088
ΔH_f, kcal/mol:	32.67
Dipole, Da:	1.23
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-bromo-2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCC1=C(SC(=N1)C2=C(C=C(C=C2)Br)C)CNC

DOS

IR

Vibrations