Geometry & MOs

Info

ID:	424493
PubChem CID:	135122879
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	374.02416
ΔH_f, kcal/mol:	-132.57
Dipole, Da:	8.0
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N,4,6-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)[C@H](CC2=CC=CC=C2)N.N

DOS

IR

Vibrations