Geometry & MOs

Info

ID:	259767
PubChem CID:	103173891
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-42.91
Dipole, Da:	8.03
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CN(N=N1)CC2=NC=CC(=C2OC)OC)O

DOS

IR

Vibrations