Geometry & MOs

Info

ID:	314288
PubChem CID:	126621155
Reduced:	SC9H18 (1)
Stoich.:	AB9C18 (1)
Weight, g/mol:	311.228286
ΔH_f, kcal/mol:	-21.69
Dipole, Da:	2.08
IP(EA), eV:	-8.88(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(oxepan-3-yl)thiepan-3-yl]azepane

Drug info:

PubChemData

Smile

C/C=C\C(CCS)C(C)C

DOS

IR

Vibrations