Geometry & MOs

Info

ID:	310219
PubChem CID:	126576909
Reduced:	FNO4C33H36 (1)
Stoich.:	ABC4D33E36 (1)
Weight, g/mol:	226.240899
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	4.82
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2,5-dimethyl-1-pentyl-4-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1CC1)C2=CC=CC(=C2)/C=C\C3=C(C(=NO3)C4=C(C=CC(=C4)OC)F)C5=CCCC5(C)C

DOS

IR

Vibrations