Geometry & MOs

Info

ID:	68448
PubChem CID:	46508431
Reduced:	ClO2N3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	392.135863
ΔH_f, kcal/mol:	26.18
Dipole, Da:	4.51
IP(EA), eV:	-9.42(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations