Geometry & MOs

Info

ID:	205597
PubChem CID:	80124727
Reduced:	NSBr2F2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	361.00892
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	3.06
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,6-difluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCCNC(C1=C(SC(=C1)Br)C)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations