Geometry & MOs

Info

ID:	267298
PubChem CID:	103581695
Reduced:	BrClSN2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	344.97315
ΔH_f, kcal/mol:	49.75
Dipole, Da:	2.54
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations