Geometry & MOs

Info

ID:	166122
PubChem CID:	74640615
Reduced:	NSO5C19H29 (1)
Stoich.:	ABC5D19E29 (1)
Weight, g/mol:	379.180839
ΔH_f, kcal/mol:	-223.56
Dipole, Da:	7.47
IP(EA), eV:	-9.21(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CC(CC(C2)C)C

DOS

IR

Vibrations