Geometry & MOs

Info

ID:	291200
PubChem CID:	111978147
Reduced:	BrIO2N4C16H24 (1)
Stoich.:	ABC2D4E16F24 (1)
Weight, g/mol:	496.13352
ΔH_f, kcal/mol:	-59.03
Dipole, Da:	5.19
IP(EA), eV:	-9.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[N-ethyl-N'-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations