Geometry & MOs

Info

ID:	414113
PubChem CID:	135087067
Reduced:	N2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	322.066365
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	5.34
IP(EA), eV:	-7.2(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-phenylsulfanyl-1-prop-2-ynoxyprop-2-ynyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

C/C=C(/C(C)(C)C)\N1C2C13CCCCC3N=C2C(C)(C)C

DOS

IR

Vibrations