Geometry & MOs

Info

ID:	365472
PubChem CID:	127317891
Reduced:	SO2N4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-83.3
Dipole, Da:	4.82
IP(EA), eV:	-8.58(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NC(C)CN3CCOCC3

DOS

IR

Vibrations