Geometry & MOs

Info

ID:	296647
PubChem CID:	117587233
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	40.44
Dipole, Da:	5.82
IP(EA), eV:	-9.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-nitrophenyl)-N-[(1-thiophen-3-ylcyclopentyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=CN=CC(=C2)C#N

DOS

IR

Vibrations