Geometry & MOs

Info

ID:	77118
PubChem CID:	48425823
Reduced:	N2O2F3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-245.12
Dipole, Da:	6.84
IP(EA), eV:	-9.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations