Geometry & MOs

Info

ID:	444289
PubChem CID:	135261966
Reduced:	NSO5F6H21C22 (1)
Stoich.:	ABC5D6E21F22 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-458.28
Dipole, Da:	7.99
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)piperazine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC3COC3)S(=O)O

DOS

IR

Vibrations