Geometry & MOs

Info

ID:	248687
PubChem CID:	103083620
Reduced:	BrN3C13H14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	333.08406
ΔH_f, kcal/mol:	48.68
Dipole, Da:	5.37
IP(EA), eV:	-9.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-2-methylphenyl)-(ethylamino)methyl]-5-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(C2=C(C=CN=C2)N)N

DOS

IR

Vibrations