Geometry & MOs

Info

ID:	269315
PubChem CID:	103616969
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	222.062698
ΔH_f, kcal/mol:	8.78
Dipole, Da:	1.49
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(C2=CC(=CC=C2)OC)N

DOS

IR

Vibrations