Geometry & MOs

Info

ID:	303717
PubChem CID:	124490094
Reduced:	O3C18H32 (1)
Stoich.:	A3B18C32 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	4.26
IP(EA), eV:	-9.97(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2R,5R)-4-(3-methoxy-3-oxopropyl)-2,5-dimethylpiperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H]([C@@H]1CCCCCCCCCCCCC(=O)O)O2

DOS

IR

Vibrations