Geometry & MOs

Info

ID:	203393
PubChem CID:	79824011
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	260.13472
ΔH_f, kcal/mol:	-102.42
Dipole, Da:	4.88
IP(EA), eV:	-9.05(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-phenyl-4-(1,3-thiazol-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CCOC(C(=O)CC1=NC=CS1)OCC

DOS

IR

Vibrations