Geometry & MOs

Info

ID:	434448
PubChem CID:	135174934
Reduced:	FPO9N10C20H24 (1)
Stoich.:	ABC9D10E20F24 (1)
Weight, g/mol:	284.282764
ΔH_f, kcal/mol:	-369.64
Dipole, Da:	6.82
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[4-(2,2-dimethylpropoxy)butan-2-yl]piperazine

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O[C@@H]2[C@@H]([C@](OC2N3C=NC4=C3NC(=NC4=O)N)(CO)F)O)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations