Geometry & MOs

Info

ID:	347830
PubChem CID:	127272892
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	7.25
IP(EA), eV:	-8.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN4CCCCC4=N3

DOS

IR

Vibrations