Geometry & MOs

Info

ID:	413895
PubChem CID:	135086846
Reduced:	BrNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	285.116507
ΔH_f, kcal/mol:	-21.19
Dipole, Da:	3.89
IP(EA), eV:	-8.42(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methylidene]amino]acetate

Drug info:

PubChemData

Smile

COC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2Br

DOS

IR

Vibrations