Geometry & MOs

Info

ID:	76661
PubChem CID:	48425208
Reduced:	N2O2F3C19H31 (1)
Stoich.:	A2B2C3D19E31 (1)
Weight, g/mol:	367.127439
ΔH_f, kcal/mol:	-254.32
Dipole, Da:	4.38
IP(EA), eV:	-8.74(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC1C(C1(C)C)C(=O)N2CCN(CC2)CCCOCC(F)(F)F)C

DOS

IR

Vibrations