Geometry & MOs

Info

ID:	25401
PubChem CID:	624314
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	279.071785
ΔH_f, kcal/mol:	37.52
Dipole, Da:	0.66
IP(EA), eV:	-8.61(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylsulfanylphenyl)prop-2-enoyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C3C=CC(=CC3=N2)N4CCOCC4

DOS

IR

Vibrations