Geometry & MOs

Info

ID:	159878
PubChem CID:	57288847
Reduced:	SN2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	109.985138
ΔH_f, kcal/mol:	72.8
Dipole, Da:	1.71
IP(EA), eV:	-8.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexaoxepane

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2NCC3=C(C1=N)SC=C3

DOS

IR

Vibrations