Geometry & MOs

Info

ID:	290676
PubChem CID:	109817069
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	496.14476
ΔH_f, kcal/mol:	-65.36
Dipole, Da:	4.95
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCC(=O)NC2=CC=CC(=N2)C

DOS

IR

Vibrations