Geometry & MOs

Info

ID:	76733
PubChem CID:	48425300
Reduced:	SN2F3O3C18H25 (1)
Stoich.:	AB2C3D3E18F25 (1)
Weight, g/mol:	411.176976
ΔH_f, kcal/mol:	-277.49
Dipole, Da:	3.71
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-methoxyphenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations