Geometry & MOs

Info

ID:	157476
PubChem CID:	56430422
Reduced:	SO2N6C20H26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	380.10994
ΔH_f, kcal/mol:	-5.11
Dipole, Da:	4.38
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C(=O)NCCCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations