Geometry & MOs

Info

ID:	172012
PubChem CID:	75453637
Reduced:	F3O3N4H9C14 (1)
Stoich.:	A3B3C4D9E14 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-124.48
Dipole, Da:	6.77
IP(EA), eV:	-10.12(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C#N

DOS

IR

Vibrations