Geometry & MOs

Info

ID:	408445
PubChem CID:	135081211
Reduced:	OSSiN2C11H18 (1)
Stoich.:	ABCD2E11F18 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-61.68
Dipole, Da:	3.64
IP(EA), eV:	-9.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azepan-1-yl)ethynyl]azepane

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)(C#N)O[Si](C)(C)C

DOS

IR

Vibrations