Geometry & MOs

Info

ID:	330283
PubChem CID:	127247270
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-41.0
Dipole, Da:	9.15
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=C(CCC4)NC3=O

DOS

IR

Vibrations