Geometry & MOs

Info

ID:	268124
PubChem CID:	103597968
Reduced:	N2F3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-235.4
Dipole, Da:	2.63
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[3-(1-phenylpyrazol-4-yl)prop-2-enoylamino]benzoate

Drug info:

PubChemData

Smile

CN(C)C(=O)CN(CC(F)(F)F)C(=O)C=CC1=CC=CO1

DOS

IR

Vibrations