Geometry & MOs

Info

ID:	19763
PubChem CID:	572107
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-13.47
Dipole, Da:	0.82
IP(EA), eV:	-8.99(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[6-[4-(2-cyanoethyl)phenoxy]hexoxy]phenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC#N)OCCCCCCOC2=CC=C(C=C2)CCC#N

DOS

IR

Vibrations