Geometry & MOs

Info

ID:	216138
PubChem CID:	85085777
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	231.108171
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	2.77
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hex-1-enylsulfanylmethyl)benzonitrile

Drug info:

PubChemData

Smile

CCCN1CCCC(C1)C2=CC=CC(=C2)C=O

DOS

IR

Vibrations