Geometry & MOs

Info

ID:	291287
PubChem CID:	111978453
Reduced:	ION6C25H37 (1)
Stoich.:	ABC6D25E37 (1)
Weight, g/mol:	436.29506
ΔH_f, kcal/mol:	9.2
Dipole, Da:	3.54
IP(EA), eV:	-9.06(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)N3CCC(C3)C4=CN(N=C4)C.I

DOS

IR

Vibrations