Geometry & MOs

Info

ID:	200494
PubChem CID:	79400014
Reduced:	BrSN2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	311.9932
ΔH_f, kcal/mol:	25.41
Dipole, Da:	3.53
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-methoxyphenyl)methyl]-N-methyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1CC2CC1CC2NC3=NC(=CS3)Br

DOS

IR

Vibrations