Geometry & MOs

Info

ID:	256275
PubChem CID:	103138129
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	317.202465
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	1.75
IP(EA), eV:	-9.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-3-(5-methyloxolan-2-yl)propyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=CC=C2Br)CN

DOS

IR

Vibrations