Geometry & MOs

Info

ID:	444291
PubChem CID:	135261968
Reduced:	NO2F3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-222.34
Dipole, Da:	3.29
IP(EA), eV:	-9.29(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CC1C2CCC(C3=CC=CC=C23)CC(N)OC(=O)C(F)(F)F

DOS

IR

Vibrations