Geometry & MOs

Info

ID:	213725
PubChem CID:	81064789
Reduced:	BrN2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	313.218784
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	4.18
IP(EA), eV:	-9.48(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-propan-2-yloxyethyl)-4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=CN1)Br

DOS

IR

Vibrations