Geometry & MOs

Info

ID:	221916
PubChem CID:	85292749
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	388.124549
ΔH_f, kcal/mol:	-204.42
Dipole, Da:	2.77
IP(EA), eV:	-9.1(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[3-(2-phenylethoxy)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2OCC3C(O2)C(C(C(O3)OCC4=CC=CC=C4)N)O

DOS

IR

Vibrations