Geometry & MOs

Info

ID:	291205
PubChem CID:	111978157
Reduced:	IO3N5C24H38 (1)
Stoich.:	AB3C5D24E38 (1)
Weight, g/mol:	443.28964
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	4.45
IP(EA), eV:	-9.29(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(CC3)C(=O)OC.I

DOS

IR

Vibrations