Geometry & MOs

Info

ID:	182737
PubChem CID:	76933422
Reduced:	FO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	300.115317
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	2.81
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(3-chloro-4-fluorophenyl)-5-propan-2-ylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)C(=NO)N)F

DOS

IR

Vibrations