Geometry & MOs

Info

ID:	290649
PubChem CID:	109816946
Reduced:	IOSN5C18H32 (1)
Stoich.:	ABCD5E18F32 (1)
Weight, g/mol:	465.19646
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	2.54
IP(EA), eV:	-9.01(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCCCC2=NC(=CS2)C)NCC.I

DOS

IR

Vibrations