Geometry & MOs

Info

ID:	138430
PubChem CID:	52366155
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	4.82
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)NCC3=CC=CC=C3CN4CCOCC4

DOS

IR

Vibrations