Geometry & MOs

Info

ID:	205595
PubChem CID:	80124572
Reduced:	BrNF2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	438.92395
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	1.47
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2,6-difluorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(C3=C(C=C(C=C3F)Br)F)N

DOS

IR

Vibrations