Geometry & MOs

Info

ID:	76617
PubChem CID:	48425153
Reduced:	N2F3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	411.07692
ΔH_f, kcal/mol:	-288.78
Dipole, Da:	1.82
IP(EA), eV:	-8.72(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-methylpyrrol-2-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations