Geometry & MOs

Info

ID:	287710
PubChem CID:	104252533
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	-71.27
Dipole, Da:	3.45
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(oxan-2-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(CC1=NC2=C(S1)C(=O)CCC2)OC

DOS

IR

Vibrations