Geometry & MOs

Info

ID:	370620
PubChem CID:	127339770
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	5.68
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations