Geometry & MOs

Info

ID:	388084
PubChem CID:	134988106
Reduced:	NSCl2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	25.5
Dipole, Da:	5.61
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-3-methylcyclooct-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=CC=C1)(N=C=S)Cl)Cl

DOS

IR

Vibrations