Geometry & MOs

Info

ID:	207002
PubChem CID:	80331056
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	30.51
Dipole, Da:	6.23
IP(EA), eV:	-9.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-propoxypyridin-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=NC=C1)N2C=C(C=N2)C(=O)N)N

DOS

IR

Vibrations