Geometry & MOs

Info

ID:	126903
PubChem CID:	50983765
Reduced:	N4O5C17H20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-167.84
Dipole, Da:	5.62
IP(EA), eV:	-9.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-4-[1-[(1-propan-2-ylpyrrol-3-yl)methyl]pyrrolidin-3-yl]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN3C(=CC(=N3)C(=O)O)C2)C

DOS

IR

Vibrations