Geometry & MOs

Info

ID:	354096
PubChem CID:	127286027
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	359.224263
ΔH_f, kcal/mol:	46.47
Dipole, Da:	4.86
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(4-ethyl-1,4-diazepan-1-yl)-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCCN1CCC2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations