Geometry & MOs

Info

ID:	290655
PubChem CID:	109816968
Reduced:	ClIO3N4C19H28 (1)
Stoich.:	ABC3D4E19F28 (1)
Weight, g/mol:	504.13459
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	4.79
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[2-(4-nitroanilino)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC2=CC3=C(C(=C2)Cl)OCCCO3.I

DOS

IR

Vibrations