Geometry & MOs

Info

ID:	81336
PubChem CID:	49854616
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	428.134777
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	6.68
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-(trifluoromethyl)phenyl]methoxy]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations