Geometry & MOs

Info

ID:	209411
PubChem CID:	80667190
Reduced:	BrFNOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	350.96564
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	3.75
IP(EA), eV:	-9.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC(C2)CBr)F

DOS

IR

Vibrations