Geometry & MOs

Info

ID:	279326
PubChem CID:	103843084
Reduced:	BrF2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	347.93797
ΔH_f, kcal/mol:	-40.49
Dipole, Da:	3.59
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,5-difluoro-N-[(5-nitrothiophen-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCN1C=CN=C1CNC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations