Geometry & MOs

Info

ID:	266849
PubChem CID:	103579739
Reduced:	BrON2F3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	271.05718
ΔH_f, kcal/mol:	-202.28
Dipole, Da:	3.05
IP(EA), eV:	-8.84(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-methoxypropyl)-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC(=O)NCC(F)(F)F

DOS

IR

Vibrations