Geometry & MOs

Info

ID:	375695
PubChem CID:	134220833
Reduced:	SCl2N2O2H20C21 (1)
Stoich.:	AB2C2D2E20F21 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	121.49
Dipole, Da:	8.49
IP(EA), eV:	-6.7(-3.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4,7-tetramethyl-3-methylideneazepane

Drug info:

PubChemData

Smile

C1CC2(CCC1N3C2=NS(=O)CC3)C4=CC=C(C=C4)OC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations