Geometry & MOs

Info

ID:	276506
PubChem CID:	103823961
Reduced:	BrFSO2N4H8C9 (1)
Stoich.:	ABCD2E4F8G9 (1)
Weight, g/mol:	262.087291
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	4.13
IP(EA), eV:	-10.43(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylpyridin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)NCC2=NC=NN2)F)Br

DOS

IR

Vibrations