Geometry & MOs

Info

ID:	57806
PubChem CID:	24277472
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	5.36
Dipole, Da:	2.66
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations