Geometry & MOs

Info

ID:	290709
PubChem CID:	109817202
Reduced:	ION5C20H30 (1)
Stoich.:	ABC5D20E30 (1)
Weight, g/mol:	450.09503
ΔH_f, kcal/mol:	2.83
Dipole, Da:	6.39
IP(EA), eV:	-8.2(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-propanoylpyrrolidin-3-yl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC2=CC=C(C=C2)N3CC=CC3.I

DOS

IR

Vibrations