Geometry & MOs

Info

ID:	221497
PubChem CID:	85273782
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	313.18017
ΔH_f, kcal/mol:	32.92
Dipole, Da:	7.27
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(2-methyl-5-propan-2-ylcyclohexyl)-2,4-dioxo-1,3-diazinane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=NN=C(C)C1=CC=C(C=C1)OC)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations