Geometry & MOs

Info

ID:	232020
PubChem CID:	87575155
Reduced:	NbOC4H10 (1)
Stoich.:	ABC4D10 (1)
Weight, g/mol:	288.018033
ΔH_f, kcal/mol:	99.74
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.705643
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCC(C)O.[Nb]

DOS

IR

Vibrations