Geometry & MOs

Info

ID:	279125
PubChem CID:	103841518
Reduced:	BrClSN2O3C13H16 (1)
Stoich.:	ABCD2E3F13G16 (1)
Weight, g/mol:	236.113648
ΔH_f, kcal/mol:	-112.44
Dipole, Da:	2.52
IP(EA), eV:	-9.81(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclopenten-1-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations