Geometry & MOs

Info

ID:	318269
PubChem CID:	126650174
Reduced:	O2C26H39 (2)
Stoich.:	A2B26C39 (2)
Weight, g/mol:	244.028204
ΔH_f, kcal/mol:	-223.7
Dipole, Da:	8.38
IP(EA), eV:	-9.17(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCC(=O)O)(C1=CC=CC=C1)C(C)(C)C2=CC=C(C=C2)C(C)(C)C(CCCCCCCCCC)(CCC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations