Geometry & MOs

Info

ID:	201311
PubChem CID:	79522633
Reduced:	ClOF2N2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	249.107754
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	3.69
IP(EA), eV:	-9.03(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-difluorophenyl)-(methylamino)methyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CC(=O)C2=C(C=CC=C2F)F)C

DOS

IR

Vibrations