Geometry & MOs

Info

ID:	250151
PubChem CID:	103094518
Reduced:	ClON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	253.022974
ΔH_f, kcal/mol:	-33.15
Dipole, Da:	2.83
IP(EA), eV:	-9.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-2-yl)-3-(2,2,2-trifluoroethyl)urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)NC2=C(C=CC=N2)Cl

DOS

IR

Vibrations