Geometry & MOs

Info

ID:	177333
PubChem CID:	76168409
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	469.212533
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	3.39
IP(EA), eV:	-9.64(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[1-(pyridine-2-carbonylamino)cyclohexyl]-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(CCC=NOC)[O-])[N+]#N

DOS

IR

Vibrations