Geometry & MOs

Info

ID:	206851
PubChem CID:	80309562
Reduced:	NSO3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	259.077933
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	5.84
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)OCC3=NC=CS3

DOS

IR

Vibrations