Geometry & MOs

Info

ID:	21168
PubChem CID:	587411
Reduced:	ClNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	315.066221
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	2.16
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1-benzofuran-5-yl)ethylideneamino] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC(=NOC(=O)C1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations