Geometry & MOs

Info

ID:	131164
PubChem CID:	51167387
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	-119.79
Dipole, Da:	1.7
IP(EA), eV:	-8.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N(C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations