Geometry & MOs

Info

ID:	64417
PubChem CID:	29200225
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	425.175084
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	5.0
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations