Geometry & MOs

Info

ID:	64698
PubChem CID:	29203871
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	446.107645
ΔH_f, kcal/mol:	-200.86
Dipole, Da:	3.25
IP(EA), eV:	-8.26(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCOCCCNC(=O)[C@@H]1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations