Geometry & MOs

Info

ID:	245934
PubChem CID:	103029971
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	286.215747
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	3.82
IP(EA), eV:	-8.73(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpyridin-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCC1=CN(N=C1)C)C2=C(OC(=C2)C)C

DOS

IR

Vibrations