Geometry & MOs

Info

ID:	269314
PubChem CID:	103616964
Reduced:	SN2F3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	234.082684
ΔH_f, kcal/mol:	-108.91
Dipole, Da:	4.65
IP(EA), eV:	-9.43(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(C2=CC=CC=C2C(F)(F)F)N

DOS

IR

Vibrations