Geometry & MOs

Info

ID:	170630
PubChem CID:	75261716
Reduced:	SO3N4C14H20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-65.68
Dipole, Da:	3.26
IP(EA), eV:	-9.13(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methoxyphenyl)-1-propylpyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNS(=O)(=O)C2C=CC3=NC(=O)NC3=C2

DOS

IR

Vibrations