Geometry & MOs

Info

ID:	148187
PubChem CID:	53787849
Reduced:	NC7F13 (1)
Stoich.:	AB7C13 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-614.84
Dipole, Da:	1.15
IP(EA), eV:	-11.87(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[4-[3-(4-cyanophenyl)prop-2-enyl]piperazin-1-yl]ethyl]benzoate

Drug info:

PubChemData

Smile

C(=C(N1C(C(C(C1(F)F)(F)F)(F)F)(F)F)F)(C(F)(F)F)F

DOS

IR

Vibrations