Geometry & MOs

Info

ID:	327734
PubChem CID:	126690921
Reduced:	N3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	474.137811
ΔH_f, kcal/mol:	156.58
Dipole, Da:	3.82
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-formyl-4-phenylphenyl)methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=C)/C(=C/1\C=N/N=C\C=C/C1=C)/C=C\NC=C

DOS

IR

Vibrations