Geometry & MOs

Info

ID:	58769
PubChem CID:	24714840
Reduced:	SN2O2C18H26 (1)
Stoich.:	AB2C2D18E26 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	2.18
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC2=NC(=CS2)CNCCCOC

DOS

IR

Vibrations