Geometry & MOs

Info

ID:	291346
PubChem CID:	111978712
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	494.99308
ΔH_f, kcal/mol:	29.67
Dipole, Da:	4.16
IP(EA), eV:	-9.32(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-fluorophenyl)methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=NN1C)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations