Geometry & MOs

Info

ID:	282752
PubChem CID:	103938030
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	28.0
Dipole, Da:	3.6
IP(EA), eV:	-8.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(2,5-dimethylpyrazol-3-yl)oxypyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)OC2=NNC(=C2)C)N

DOS

IR

Vibrations