Geometry & MOs

Info

ID:	195650
PubChem CID:	78715485
Reduced:	FN2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	7.15
IP(EA), eV:	-8.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=C(C=C2)F)OC(=O)C=CC3=CC4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations