Geometry & MOs

Info

ID:	344979
PubChem CID:	127268739
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	4.07
IP(EA), eV:	-8.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-3-(2,5-dimethylpyrrolidin-1-yl)piperidine

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)S(=O)(=O)C3=CC4=C(N=C3)N(N=C4C)C)C

DOS

IR

Vibrations