Geometry & MOs

Info

ID:	50
PubChem CID:	2020
Reduced:	N3O5C19H35 (1)
Stoich.:	A3B5C19D35 (1)
Weight, g/mol:	385.257671
ΔH_f, kcal/mol:	-244.15
Dipole, Da:	6.81
IP(EA), eV:	-9.36(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide

Drug info:

PubChemData

Smile

CCCCCC(CC(=O)NO)C(=O)NC(C(C)C)C(=O)N1CCCC1CO

DOS

IR

Vibrations