Geometry & MOs

Info

ID:	142593
PubChem CID:	53063853
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-124.11
Dipole, Da:	3.56
IP(EA), eV:	-9.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-[4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCN(C(=O)C2=O)CC(=O)NC3CCCCCC3

DOS

IR

Vibrations