Geometry & MOs

Info

ID:	281341
PubChem CID:	103913731
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	4.03
IP(EA), eV:	-9.16(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C)CC(CNC(C)C1=CC=C(C=C1)OCC#N)O

DOS

IR

Vibrations