Geometry & MOs

Info

ID:	64126
PubChem CID:	29196275
Reduced:	SN3O3H23C25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	303.174691
ΔH_f, kcal/mol:	-17.72
Dipole, Da:	5.16
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3,5-dimethyl-N-pentylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)C5CC5

DOS

IR

Vibrations