Geometry & MOs

Info

ID:	69326
PubChem CID:	46530692
Reduced:	O2F3N3C20H24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-219.47
Dipole, Da:	2.36
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations