Geometry & MOs

Info

ID:	140311
PubChem CID:	52680747
Reduced:	N2F3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	430.218032
ΔH_f, kcal/mol:	-273.23
Dipole, Da:	3.1
IP(EA), eV:	-9.31(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-4-[3-(4-fluoroanilino)-3-oxopropyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)N[C@@H](C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations