Geometry & MOs

Info

ID:	259699
PubChem CID:	103172204
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-87.57
Dipole, Da:	5.91
IP(EA), eV:	-9.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CNCC(=O)N)OC

DOS

IR

Vibrations