Geometry & MOs

Info

ID:	76939
PubChem CID:	48425599
Reduced:	N2O2F3C14H23 (1)
Stoich.:	A2B2C3D14E23 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-291.73
Dipole, Da:	5.18
IP(EA), eV:	-9.76(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-(diethylamino)-2-oxoethyl]-5-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1CCCC(C1)C(F)(F)F

DOS

IR

Vibrations