Geometry & MOs

Info

ID:	140539
PubChem CID:	52717060
Reduced:	NO3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-82.59
Dipole, Da:	5.62
IP(EA), eV:	-8.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-methyl-1-[4-(4-methylpentanoyl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NCCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations