Geometry & MOs

Info

ID:	291296
PubChem CID:	111978531
Reduced:	IO3N4C24H39 (1)
Stoich.:	AB3C4D24E39 (1)
Weight, g/mol:	444.310041
ΔH_f, kcal/mol:	-108.02
Dipole, Da:	2.48
IP(EA), eV:	-8.84(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

Drug info:

PubChemData

Smile

CN=C(NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)N3CCC(C3)COCCOC.I

DOS

IR

Vibrations