Geometry & MOs

Info

ID:	399773
PubChem CID:	135042513
Reduced:	NC5S8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	208.029107
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	3.42
IP(EA), eV:	-8.73(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-methyl-2-prop-2-ynoxybenzaldehyde

Drug info:

PubChemData

Smile

C1CCN(CC1)SSSSSSSS

DOS

IR

Vibrations