Geometry & MOs

Info

ID:	211722
PubChem CID:	81050897
Reduced:	BrClFSH13C15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	261.220498
ΔH_f, kcal/mol:	-20.36
Dipole, Da:	3.03
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-cyclohexyl-N-ethyl-2,6-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)C(C2=CC3=C(S2)CCC3)Br

DOS

IR

Vibrations