Geometry & MOs

Info

ID:	182343
PubChem CID:	76876830
Reduced:	ClSO2N4C12H17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	5.4
IP(EA), eV:	-9.31(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-ylphenoxy)-N-(pyrazolidin-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCCN1C(C(C(=O)NC1=O)NCC2=CC=C(S2)Cl)N

DOS

IR

Vibrations