Geometry & MOs

Info

ID:	246228
PubChem CID:	103050763
Reduced:	ClFN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	312.176855
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	0.68
IP(EA), eV:	-8.38(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yl-1-[(5-chloro-2-fluorophenyl)methyl]-5-ethylpiperazine

Drug info:

PubChemData

Smile

CC(C)C1CNC(CN1CC2=C(C=CC(=C2)Cl)F)(C)C

DOS

IR

Vibrations