Geometry & MOs

Info

ID:	213431
PubChem CID:	81063687
Reduced:	FSN2O4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	357.14158
ΔH_f, kcal/mol:	-192.37
Dipole, Da:	3.55
IP(EA), eV:	-9.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-methyl-3-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1=CC(=CC(=C1)S(=O)(=O)N)F

DOS

IR

Vibrations