Geometry & MOs

Info

ID:	290856
PubChem CID:	111364595
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	462.11279
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	3.61
IP(EA), eV:	-8.78(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]benzoate;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)CN2CCCC2)NCC(=O)N(C)C

DOS

IR

Vibrations