Geometry & MOs

Info

ID:	310327
PubChem CID:	126578842
Reduced:	O4N5C13H15 (1)
Stoich.:	A4B5C13D15 (1)
Weight, g/mol:	564.207025
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	1.59
IP(EA), eV:	-9.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[3-[1-(2,4-dichlorophenyl)ethylamino]-4-fluorophenyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC12[C@]3([C@@H](C(O2)[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)CO

DOS

IR

Vibrations