Geometry & MOs

Info

ID:	290683
PubChem CID:	109817083
Reduced:	FON5C19H26 (1)
Stoich.:	ABC5D19E26 (1)
Weight, g/mol:	475.10804
ΔH_f, kcal/mol:	-51.4
Dipole, Da:	5.18
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCC2=CNC3=C2C=CC(=C3)F

DOS

IR

Vibrations