Geometry & MOs

Info

ID:	362139
PubChem CID:	127305821
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	6.88
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CSC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations