Geometry & MOs

Info

ID:	291765
PubChem CID:	113474474
Reduced:	SN2C15H30 (1)
Stoich.:	AB2C15D30 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-33.76
Dipole, Da:	2.16
IP(EA), eV:	-8.33(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethylsulfanylpropyl)-2,3-dihydrochromene-4-carbonitrile

Drug info:

PubChemData

Smile

CCSCCCN1CCNCC1C2CCCCC2

DOS

IR

Vibrations