Geometry & MOs

Info

ID:	55770
PubChem CID:	17396479
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-95.27
Dipole, Da:	3.79
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-cyanophenyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)NCC3CCCO3

DOS

IR

Vibrations