Geometry & MOs

Info

ID:	188046
PubChem CID:	77660801
Reduced:	N2F3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	341.150619
ΔH_f, kcal/mol:	-219.67
Dipole, Da:	2.57
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(3-chlorophenoxy)-4-ethylpyrazolidin-3-yl]-2-methylpropyl] carbamate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=C(C=C2N1C(=O)C3=CC(=CC=C3)F)F)O)F)C(C)CCC(=O)N

DOS

IR

Vibrations