Geometry & MOs

Info

ID:	206786
PubChem CID:	80301763
Reduced:	FON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	323.04334
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	2.51
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CC1(CC1)C(C)(C(=O)N)NC2=CC(=CC=C2)F

DOS

IR

Vibrations