Geometry & MOs

Info

ID:	259754
PubChem CID:	103173626
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-82.83
Dipole, Da:	6.9
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3,4-dimethoxypyridin-2-yl)methyl]pyrrol-3-yl]propan-1-amine

Drug info:

PubChemData

Smile

CNCC1CN(CCO1)CC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations