Geometry & MOs

Info

ID:	291317
PubChem CID:	111978618
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	557.00873
ΔH_f, kcal/mol:	32.59
Dipole, Da:	2.05
IP(EA), eV:	-8.99(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NCC#C

DOS

IR

Vibrations