Geometry & MOs

Info

ID:	197113
PubChem CID:	78923883
Reduced:	SF2N2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	1.34
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1=C(C=CC(=C1)F)F)C2=CSC=N2

DOS

IR

Vibrations