Geometry & MOs

Info

ID:	269312
PubChem CID:	103616960
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	222.062698
ΔH_f, kcal/mol:	-34.16
Dipole, Da:	4.34
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations