Geometry & MOs

Info

ID:	38661
PubChem CID:	8137364
Reduced:	F2N2O4H16C19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	323.108148
ΔH_f, kcal/mol:	-211.97
Dipole, Da:	4.64
IP(EA), eV:	-8.29(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations