Geometry & MOs

Info

ID:	76450
PubChem CID:	48424941
Reduced:	F3N3O3C19H24 (1)
Stoich.:	A3B3C3D19E24 (1)
Weight, g/mol:	408.17731
ΔH_f, kcal/mol:	-216.81
Dipole, Da:	3.54
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]indol-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=NOC(C2)C3=CC=CC=C3

DOS

IR

Vibrations