Geometry & MOs

Info

ID:	131702
PubChem CID:	51248120
Reduced:	ON5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	45.57
Dipole, Da:	6.66
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-(N-ethylanilino)propanamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations