Geometry & MOs

Info

ID:	77131
PubChem CID:	48425837
Reduced:	F2N2O2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-180.58
Dipole, Da:	2.18
IP(EA), eV:	-9.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations