Geometry & MOs

Info

ID:	291199
PubChem CID:	111978146
Reduced:	O3N5C23H35 (1)
Stoich.:	A3B5C23D35 (1)
Weight, g/mol:	510.01274
ΔH_f, kcal/mol:	-114.52
Dipole, Da:	7.03
IP(EA), eV:	-8.91(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CCN(CC3)C(=O)OC

DOS

IR

Vibrations