Geometry & MOs

Info

ID:	163743
PubChem CID:	60455484
Reduced:	BrON2F4H11C15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-202.46
Dipole, Da:	3.56
IP(EA), eV:	-9.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(aminomethyl)phenyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)NC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations