Geometry & MOs

Info

ID:	70601
PubChem CID:	48413579
Reduced:	SN3O3C21H35 (1)
Stoich.:	AB3C3D21E35 (1)
Weight, g/mol:	346.21689
ΔH_f, kcal/mol:	-135.74
Dipole, Da:	7.77
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations