Geometry & MOs

Info

ID:	37288
PubChem CID:	8019155
Reduced:	NO6C23H25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	293.246713
ΔH_f, kcal/mol:	-182.2
Dipole, Da:	4.9
IP(EA), eV:	-8.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations