Geometry & MOs

Info

ID:	333848
PubChem CID:	127252400
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-6.43
Dipole, Da:	7.51
IP(EA), eV:	-9.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)S(=O)(=O)C2=CNN=C2)C3=CC=NN3

DOS

IR

Vibrations