Geometry & MOs

Info

ID:	174161
PubChem CID:	75732807
Reduced:	NOC11H18 (2)
Stoich.:	ABC11D18 (2)
Weight, g/mol:	459.346092
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	5.85
IP(EA), eV:	-9.36(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-ethyl-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pentan-2-yl]-propylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N(CCC)C(C1=CC=CC=C1C)C(=O)NCCCC

DOS

IR

Vibrations