Geometry & MOs

Info

ID:	292253
PubChem CID:	114552774
Reduced:	FN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	3.32
IP(EA), eV:	-9.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyrazol-3-yl)-N-propyloxan-4-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(=O)CC(=O)C2=NC=CC=N2

DOS

IR

Vibrations