Geometry & MOs

Info

ID:	299950
PubChem CID:	118043379
Reduced:	F3N4O4H17C18 (1)
Stoich.:	A3B4C4D17E18 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-268.65
Dipole, Da:	7.72
IP(EA), eV:	-9.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbutan-2-yl N-ethyl-N-[3-methyl-1-(1-oxidopyridin-1-ium-3-yl)pyrazol-4-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=CC(=C1)C2=CN=C(C=C2C(F)(F)F)N3C(CN(C3=O)C)O

DOS

IR

Vibrations