Geometry & MOs

Info

ID:	290694
PubChem CID:	109817108
Reduced:	BrION4C16H24 (1)
Stoich.:	ABCD4E16F24 (1)
Weight, g/mol:	528.15098
ΔH_f, kcal/mol:	-11.92
Dipole, Da:	3.45
IP(EA), eV:	-9.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations