Geometry & MOs

Info

ID:	290613
PubChem CID:	109767922
Reduced:	ICl2N5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	485.99087
ΔH_f, kcal/mol:	52.34
Dipole, Da:	11.13
IP(EA), eV:	-7.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC(=CC=C1)N(C)C)NCC2=CC(=C(N2C)Cl)Cl.I

DOS

IR

Vibrations