Geometry & MOs

Info

ID:	201260
PubChem CID:	79516475
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	239.179776
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	3.5
IP(EA), eV:	-9.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(aminomethyl)-3-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)N2CCC(=O)CC2=O

DOS

IR

Vibrations