Geometry & MOs

Info

ID:	70522
PubChem CID:	48413466
Reduced:	FON4C22H31 (1)
Stoich.:	ABC4D22E31 (1)
Weight, g/mol:	346.21689
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	3.28
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=NN(C2=C1CCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations