Geometry & MOs

Info

ID:	206853
PubChem CID:	80310263
Reduced:	OSN2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	247.057947
ΔH_f, kcal/mol:	31.43
Dipole, Da:	2.35
IP(EA), eV:	-8.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=N1)COC2=CC=C(C3=CC=CC=C32)N

DOS

IR

Vibrations