Geometry & MOs

Info

ID:	433730
PubChem CID:	135173870
Reduced:	N6O6H40C41 (1)
Stoich.:	A6B6C40D41 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	16.15
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethoxypyrrolidin-1-yl)methyl]-1-methylpiperidine

Drug info:

PubChemData

Smile

C1C[C@H](CC(C1)OC2CCN(CC2)C3=CC4=C(C=C3)C(=O)N(C4=O)C5CCC(=O)NC5=O)N6C=C(C(=N6)C7=CC=NC=C7)C8=CC9=C(C=C8)C(=O)CC9

DOS

IR

Vibrations