Geometry & MOs

Info

ID:	167508
PubChem CID:	74838696
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	385.121353
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	4.92
IP(EA), eV:	-8.44(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[3-methyl-5-[3-(trifluoromethyl)phenyl]pyrazolidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1C(C(NN1)C2=CC3=C(C=C2)OCO3)NC(=O)OC

DOS

IR

Vibrations