Geometry & MOs

Info

ID:	263259
PubChem CID:	103349868
Reduced:	S3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	312.99138
ΔH_f, kcal/mol:	56.28
Dipole, Da:	3.06
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(2,4-difluorophenoxy)methyl]aniline

Drug info:

PubChemData

Smile

CC1CN(CCS1)C2=C(C(=NS2)N)C3=NC(=CS3)C

DOS

IR

Vibrations