Geometry & MOs

Info

ID:	388417
PubChem CID:	134989099
Reduced:	NOSSiC11H17 (1)
Stoich.:	ABCDE11F17 (1)
Weight, g/mol:	185.123821
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	4.19
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butylsulfanyl-3,4,5,6-tetrahydro-2H-azepine

Drug info:

PubChemData

Smile

C[Si](C)(C)OC(C1=CC=CC=C1)C(=S)N

DOS

IR

Vibrations