Geometry & MOs

Info

ID:	291197
PubChem CID:	111978142
Reduced:	NC6H7 (4)
Stoich.:	AB6C7 (4)
Weight, g/mol:	524.02839
ΔH_f, kcal/mol:	80.24
Dipole, Da:	3.02
IP(EA), eV:	-8.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[N'-[(4-bromophenyl)methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)NC3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations