Geometry & MOs

Info

ID:	160060
PubChem CID:	57304556
Reduced:	BrClNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	321.164126
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	2.61
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-fluorophenyl)-4-N-(3-phenylpropyl)pyridine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCl)NC(=O)OC2=CC=C(C=C2)Br

DOS

IR

Vibrations