Geometry & MOs

Info

ID:	363593
PubChem CID:	127311672
Reduced:	BrON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	328.229683
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	6.21
IP(EA), eV:	-8.8(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CNC(=O)N1CCC2=C1C=C(C=C2)Br

DOS

IR

Vibrations