Geometry & MOs

Info

ID:	208181
PubChem CID:	80502517
Reduced:	O2N5C9H13 (1)
Stoich.:	A2B5C9D13 (1)
Weight, g/mol:	202.067304
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	5.58
IP(EA), eV:	-8.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-fluorophenyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CC(CCO)NC1=NN2C(=NNC2=O)C=C1

DOS

IR

Vibrations