Geometry & MOs

Info

ID:	291285
PubChem CID:	111978449
Reduced:	ION6C24H35 (1)
Stoich.:	ABC6D24E35 (1)
Weight, g/mol:	422.27941
ΔH_f, kcal/mol:	25.54
Dipole, Da:	6.42
IP(EA), eV:	-9.07(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations