Geometry & MOs

Info

ID:	128841
PubChem CID:	51060324
Reduced:	ClN3O6H22C25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	444.217971
ΔH_f, kcal/mol:	-135.44
Dipole, Da:	8.77
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]nonanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations