Geometry & MOs

Info

ID:	68243
PubChem CID:	46508036
Reduced:	NOCl2H6C9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-42.85
Dipole, Da:	1.2
IP(EA), eV:	-9.33(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2=CN=C(O2)CCC(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations