Geometry & MOs

Info

ID:	251890
PubChem CID:	103107593
Reduced:	O2N3F5H6C11 (1)
Stoich.:	A2B3C5D6E11 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-212.52
Dipole, Da:	3.37
IP(EA), eV:	-10.82(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-[(4-pyrazol-1-ylphenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CC2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations