Geometry & MOs

Info

ID:	284450
PubChem CID:	104046580
Reduced:	BrFNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	4.05
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyano-2-methylpropyl)-3-(3-nitrophenyl)urea

Drug info:

PubChemData

Smile

COC(=O)C(C1CC1)NC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations