Geometry & MOs

Info

ID:	321396
PubChem CID:	126665951
Reduced:	O2F3N5H30C36 (1)
Stoich.:	A2B3C5D30E36 (1)
Weight, g/mol:	207.023311
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	1.17
IP(EA), eV:	-8.66(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-(1,3-thiazol-2-yl)urea;hydrochloride

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)C#N)C(F)(F)F

DOS

IR

Vibrations