Geometry & MOs

Info

ID:	343144
PubChem CID:	127266317
Reduced:	F2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	6.23
IP(EA), eV:	-9.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropyl-2,2-difluoroethyl)-3-(2,6-dimethylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC(C2CC2)C(F)F

DOS

IR

Vibrations