Geometry & MOs

Info

ID:	431681
PubChem CID:	135171777
Reduced:	N3O5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	404.02235
ΔH_f, kcal/mol:	-99.55
Dipole, Da:	5.9
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyphenyl)-2,3-difluoro-4-(2-methoxyphenyl)benzene

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C(=C2)OC(=O)C)C#CC3=CN=CN=C3)CC(=O)OC(C)(C)C

DOS

IR

Vibrations