Geometry & MOs

Info

ID:	76498
PubChem CID:	48425004
Reduced:	O2F3N4C17H27 (1)
Stoich.:	A2B3C4D17E27 (1)
Weight, g/mol:	414.15149
ΔH_f, kcal/mol:	-227.14
Dipole, Da:	3.68
IP(EA), eV:	-8.67(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-nitro-1H-indol-2-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations