Geometry & MOs

Info

ID:	291198
PubChem CID:	111978143
Reduced:	BrIO2N4C17H26 (1)
Stoich.:	ABC2D4E17F26 (1)
Weight, g/mol:	429.27399
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	4.99
IP(EA), eV:	-9.36(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2CCN(CC2)C(=O)OC.I

DOS

IR

Vibrations