Geometry & MOs

Info

ID:	290839
PubChem CID:	111357546
Reduced:	ClON5C19H30 (1)
Stoich.:	ABC5D19E30 (1)
Weight, g/mol:	493.14692
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	4.86
IP(EA), eV:	-8.74(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chlorophenyl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCN1CCN(CC1)C(=O)C)NCCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations