Geometry & MOs

Info

ID:	205598
PubChem CID:	80124728
Reduced:	BrNF4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	357.034
ΔH_f, kcal/mol:	-141.57
Dipole, Da:	2.2
IP(EA), eV:	-9.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2,6-difluorophenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=C(C=C(C=C2F)Br)F)NC

DOS

IR

Vibrations