Geometry & MOs

Info

ID:	290120
PubChem CID:	104410956
Reduced:	ClN3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-81.94
Dipole, Da:	5.64
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-1-pyridin-2-ylpropyl)-methylamino]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)OC2=C(C(=NC=N2)Cl)N

DOS

IR

Vibrations