Geometry & MOs

Info

ID:	413844
PubChem CID:	135086794
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	305.061885
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	4.98
IP(EA), eV:	-9.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methylidene]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=NCC(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations