Geometry & MOs

Info

ID:	158122
PubChem CID:	56463018
Reduced:	ClO4N5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	347.113313
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	1.57
IP(EA), eV:	-8.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations