Geometry & MOs

Info

ID:	277469
PubChem CID:	103828795
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C1=NC=CS1)NCC(CN2CCOCC2)O

DOS

IR

Vibrations