Geometry & MOs

Info

ID:	441635
PubChem CID:	135238161
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	341.87255
ΔH_f, kcal/mol:	48.77
Dipole, Da:	4.48
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,6-dibromo-2-fluoro-3-methoxybenzoate

Drug info:

PubChemData

Smile

CN(C)C/C=C/C(=O)N(C)C1=CN=CC(=C1)C2=CC3=C(NC=C3C4=CC(=NC=C4)OC)N=C2

DOS

IR

Vibrations