Geometry & MOs

Info

ID:	259694
PubChem CID:	103172070
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	2.68
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3,4-dimethoxypyridin-2-yl)methyl]-N'-propylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(CCCN)CC1=NC=CC(=C1OC)OC

DOS

IR

Vibrations