Geometry & MOs

Info

ID:	248713
PubChem CID:	103083861
Reduced:	BrSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	338.04523
ΔH_f, kcal/mol:	41.38
Dipole, Da:	4.2
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(S2)CNC)C

DOS

IR

Vibrations