Geometry & MOs

Info

ID:	271706
PubChem CID:	103689364
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	180.126263
ΔH_f, kcal/mol:	51.76
Dipole, Da:	4.27
IP(EA), eV:	-9.18(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-propoxypyridin-3-yl)ethanamine

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=NC=C(C=C2)C#N

DOS

IR

Vibrations