Geometry & MOs

Info

ID:	269746
PubChem CID:	103618901
Reduced:	O2N3C8H17 (1)
Stoich.:	A2B3C8D17 (1)
Weight, g/mol:	277.067426
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	4.35
IP(EA), eV:	-9.51(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea

Drug info:

PubChemData

Smile

CCNC(=O)NCC(C)(C)C(=O)N

DOS

IR

Vibrations