Geometry & MOs

Info

ID:	255909
PubChem CID:	103135567
Reduced:	BO2F3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	-301.17
Dipole, Da:	13.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.856816
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-pyridin-4-ylpropan-1-amine

Drug info:

PubChemData

Smile

[B-](C1=CC(=CC=C1)OCC2CCC(O2)C)(F)(F)F

DOS

IR

Vibrations