Geometry & MOs

Info

ID:	349564
PubChem CID:	127275451
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-67.23
Dipole, Da:	6.05
IP(EA), eV:	-9.3(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCN(C1)C(=O)NC2CCN(CC2)C(=O)C3CC3)C4=CC=CC=C4

DOS

IR

Vibrations