Geometry & MOs

Info

ID:	356957
PubChem CID:	127293023
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	2.39
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCN(C1)C2CCCC2)OC3=CC=CC=C3C#N

DOS

IR

Vibrations