Geometry & MOs

Info

ID:	269322
PubChem CID:	103616987
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	222.062698
ΔH_f, kcal/mol:	32.26
Dipole, Da:	1.59
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CN=C(S2)C)N)C

DOS

IR

Vibrations