Geometry & MOs

Info

ID:	202372
PubChem CID:	79664571
Reduced:	BrON3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	303.176919
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	2.66
IP(EA), eV:	-8.94(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-2,2-dimethyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC(=C(C=C1)Br)C)CC(C)(C)CN

DOS

IR

Vibrations