Geometry & MOs

Info

ID:	287727
PubChem CID:	104253056
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	2.77
IP(EA), eV:	-8.95(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1=C(N=C(S1)CC(C)OC)C

DOS

IR

Vibrations