Geometry & MOs

Info

ID:	168479
PubChem CID:	74974674
Reduced:	N5F6O7H39C40 (1)
Stoich.:	A5B6C7D39E40 (1)
Weight, g/mol:	299.120068
ΔH_f, kcal/mol:	-519.16
Dipole, Da:	10.79
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5)N)C)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations