Geometry & MOs

Info

ID:	202855
PubChem CID:	79734151
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	270.012682
ΔH_f, kcal/mol:	14.53
Dipole, Da:	2.68
IP(EA), eV:	-8.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-(chloromethyl)phenyl]-3-fluoropyridin-2-amine

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CC(C2=NC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations