Geometry & MOs

Info

ID:	290606
PubChem CID:	109765552
Reduced:	IOSN6C22H33 (1)
Stoich.:	ABCD6E22F33 (1)
Weight, g/mol:	514.99073
ΔH_f, kcal/mol:	9.75
Dipole, Da:	2.04
IP(EA), eV:	-9.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-chloropyridin-3-yl)ethyl]-2-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-3-ethylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCC(=O)N1CCC2=C(C1)C=CS2)N3CCC(C(C3)N4C=CN=C4)C.I

DOS

IR

Vibrations